---
_id: '17637'
abstract:
- lang: eng
text: Supermassive stars (SMSs; >10^5 Msun) formed in the first protogalaxies with
virial temperature T_vir>10^4 K are expected to collapse into seeds of supermassive
black hole (SMBHs) in the high-redshift universe (z>7). Fragmentation of the primordial
gas is, however, a possible obstacle to SMS formation. We discuss the expected
properties of a compact, metal-free, marginally unstable nuclear protogalactic
disk, and the fate of the clumps formed in the disk by gravitational instability.
Interior to a characteristic radius R_f=few*10^{-2} pc, the disk fragments into
massive clumps with M_c~30 Msun. The clumps grow via accretion and migrate inward
rapidly on a timescale of ~10^4 yr, which is comparable or shorter than the Kelvin-Helmholz
time >10^4 yr. Some clumps may evolve to zero-age main sequence stars and halt
gas accretion by radiative feedback, but most of the clumps can migrate inward
and merge with the central protostar before forming massive stars. Moreover, we
found that dust-induced-fragmentation in metal-enriched gas does not modify these
conclusions unless Z> 3*10^{-4} Zsun, because clump migration below this metallicity
remains as rapid as in the primordial case. Our results suggest that fragmentation
of a compact, metal--poor disk can not prevent the formation of a SMS.
article_processing_charge: No
article_type: original
author:
- first_name: Kohei
full_name: Inayoshi, Kohei
last_name: Inayoshi
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: Inayoshi K, Haiman Z. Does disc fragmentation prevent the formation of supermassive
stars in protogalaxies? Monthly Notices of the Royal Astronomical Society.
2014;445(2):1549-1557. doi:10.1093/mnras/stu1870
apa: Inayoshi, K., & Haiman, Z. (2014). Does disc fragmentation prevent the
formation of supermassive stars in protogalaxies? Monthly Notices of the Royal
Astronomical Society. Oxford University Press. https://doi.org/10.1093/mnras/stu1870
chicago: Inayoshi, Kohei, and Zoltán Haiman. “Does Disc Fragmentation Prevent the
Formation of Supermassive Stars in Protogalaxies?” Monthly Notices of the Royal
Astronomical Society. Oxford University Press, 2014. https://doi.org/10.1093/mnras/stu1870.
ieee: K. Inayoshi and Z. Haiman, “Does disc fragmentation prevent the formation
of supermassive stars in protogalaxies?,” Monthly Notices of the Royal Astronomical
Society, vol. 445, no. 2. Oxford University Press, pp. 1549–1557, 2014.
ista: Inayoshi K, Haiman Z. 2014. Does disc fragmentation prevent the formation
of supermassive stars in protogalaxies? Monthly Notices of the Royal Astronomical
Society. 445(2), 1549–1557.
mla: Inayoshi, Kohei, and Zoltán Haiman. “Does Disc Fragmentation Prevent the Formation
of Supermassive Stars in Protogalaxies?” Monthly Notices of the Royal Astronomical
Society, vol. 445, no. 2, Oxford University Press, 2014, pp. 1549–57, doi:10.1093/mnras/stu1870.
short: K. Inayoshi, Z. Haiman, Monthly Notices of the Royal Astronomical Society
445 (2014) 1549–1557.
date_created: 2024-09-06T07:15:08Z
date_published: 2014-10-09T00:00:00Z
date_updated: 2024-09-24T11:33:30Z
day: '09'
doi: 10.1093/mnras/stu1870
extern: '1'
fulldoi: https://doi.org/10.1093/mnras/stu1870
intvolume: ' 445'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnras/stu1870
month: '10'
oa: 1
oa_version: Published Version
page: 1549-1557
publication: Monthly Notices of the Royal Astronomical Society
publication_identifier:
issn:
- 1365-2966
- 0035-8711
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Does disc fragmentation prevent the formation of supermassive stars in protogalaxies?
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 445
year: '2014'
...
---
_id: '17642'
abstract:
- lang: eng
text: The presence of quasars at redshifts z > 6 indicates the existence of supermassive
black holes (SMBHs) as massive as a few times 10^9 Msun, challenging models for
SMBH formation. One pathway is through the direct collapse of gas in T_{vir} >
10^4 K halos; however, this requires the suppression of H_2 cooling to prevent
fragmentation. In this paper, we examine a proposed new mechanism for this suppression
which relies on cold-mode accretion flows leading to shocks at high densities
(n > 10^4 cm^{-3}) and temperatures (T > 10^4 K). In such gas, H_2 is efficiently
collisionally dissociated. We use high-resolution numerical simulations to test
this idea, demonstrating that such halos typically have lower temperature progenitors,
in which cooling is efficient. Those halos do show filamentary flows; however,
the gas shocks at or near the virial radius (at low densities), thus preventing
the proposed collisional mechanism from operating. We do find that, if we artificially
suppress H_2 formation with a high UV background, so as to allow gas in the halo
center to enter the high-temperature, high-density "zone of no return", it will
remain there even if the UV flux is turned off, collapsing to high density at
high temperature. Due to computational limitations, we simulated only three halos.
However, we demonstrate, using Monte Carlo calculations of 10^6 halo merger histories,
that a few rare halos could assemble rapidly enough to avoid efficient H_2 cooling
in all of their progenitor halos, provided that the UV background exceeds J_{21}
~ few at redshifts as high as z ~ 20
article_processing_charge: No
article_type: original
author:
- first_name: Ricardo
full_name: Fernandez, Ricardo
last_name: Fernandez
- first_name: Greg L.
full_name: Bryan, Greg L.
last_name: Bryan
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Miao
full_name: Li, Miao
last_name: Li
citation:
ama: 'Fernandez R, Bryan GL, Haiman Z, Li M. H2 suppression with shocking inflows:
Testing a pathway for supermassive black hole formation. Monthly Notices of
the Royal Astronomical Society. 2014;439(4):3798-3807. doi:10.1093/mnras/stu230'
apa: 'Fernandez, R., Bryan, G. L., Haiman, Z., & Li, M. (2014). H2 suppression
with shocking inflows: Testing a pathway for supermassive black hole formation.
Monthly Notices of the Royal Astronomical Society. Oxford University Press.
https://doi.org/10.1093/mnras/stu230'
chicago: 'Fernandez, Ricardo, Greg L. Bryan, Zoltán Haiman, and Miao Li. “H2 Suppression
with Shocking Inflows: Testing a Pathway for Supermassive Black Hole Formation.”
Monthly Notices of the Royal Astronomical Society. Oxford University Press,
2014. https://doi.org/10.1093/mnras/stu230.'
ieee: 'R. Fernandez, G. L. Bryan, Z. Haiman, and M. Li, “H2 suppression with shocking
inflows: Testing a pathway for supermassive black hole formation,” Monthly
Notices of the Royal Astronomical Society, vol. 439, no. 4. Oxford University
Press, pp. 3798–3807, 2014.'
ista: 'Fernandez R, Bryan GL, Haiman Z, Li M. 2014. H2 suppression with shocking
inflows: Testing a pathway for supermassive black hole formation. Monthly Notices
of the Royal Astronomical Society. 439(4), 3798–3807.'
mla: 'Fernandez, Ricardo, et al. “H2 Suppression with Shocking Inflows: Testing
a Pathway for Supermassive Black Hole Formation.” Monthly Notices of the Royal
Astronomical Society, vol. 439, no. 4, Oxford University Press, 2014, pp.
3798–807, doi:10.1093/mnras/stu230.'
short: R. Fernandez, G.L. Bryan, Z. Haiman, M. Li, Monthly Notices of the Royal
Astronomical Society 439 (2014) 3798–3807.
date_created: 2024-09-06T07:21:52Z
date_published: 2014-02-26T00:00:00Z
date_updated: 2024-09-24T11:56:43Z
day: '26'
doi: 10.1093/mnras/stu230
extern: '1'
fulldoi: https://doi.org/10.1093/mnras/stu230
intvolume: ' 439'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnras/stu230
month: '02'
oa: 1
oa_version: Published Version
page: 3798-3807
publication: Monthly Notices of the Royal Astronomical Society
publication_identifier:
issn:
- 1365-2966
- 0035-8711
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'H2 suppression with shocking inflows: Testing a pathway for supermassive black
hole formation'
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 439
year: '2014'
...
---
_id: '17643'
abstract:
- lang: eng
text: Explaining the existence of supermassive black holes (SMBHs) larger than ∼10^9M⊙
at redshifts z>∼6 remains an open theoretical question. One possibility is that
gas collapsing rapidly in pristine atomic cooling halos (Tvir>∼10^4K) produces
10^4−10^6M⊙ black holes. Previous studies have shown that the formation of such
a black hole requires a strong UV background to prevent molecular hydrogen cooling
and gas fragmentation. Recently it has been proposed that a high UV background
may not be required for halos that accrete material extremely rapidly or for halos
where gas cooling is delayed due to a high baryon-dark matter streaming velocity.
In this work, we point out that building up a halo with Tvir>∼104K before molecular
cooling becomes efficient is not sufficient for forming a direct collapse black
hole (DCBH). Though molecular hydrogen formation may be delayed, it will eventually
form at high densities leading to efficient cooling and fragmentation. The only
obvious way that molecular cooling could be avoided in the absence of strong UV
radiation, is for gas to reach high enough density to cause collisional dissociation
of molecular hydrogen (∼10^4 cm^−3) before cooling occurs. However, we argue that
the minimum core entropy, set by the entropy of the intergalactic medium (IGM)
when it decouples from the CMB, prevents this from occurring for realistic halo
masses. This is confirmed by hydrodynamical cosmological simulations without radiative
cooling. We explain the maximum density versus halo mass in these simulations
with simple entropy arguments. The low densities found suggest that DCBH formation
indeed requires a strong UV background.
article_processing_charge: No
article_type: original
author:
- first_name: Eli
full_name: Visbal, Eli
last_name: Visbal
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Greg L.
full_name: Bryan, Greg L.
last_name: Bryan
citation:
ama: 'Visbal E, Haiman Z, Bryan GL. A no-go theorem for direct collapse black holes
without a strong ultraviolet background. Monthly Notices of the Royal Astronomical
Society: Letters. 2014;442(1):L100-L104. doi:10.1093/mnrasl/slu063'
apa: 'Visbal, E., Haiman, Z., & Bryan, G. L. (2014). A no-go theorem for direct
collapse black holes without a strong ultraviolet background. Monthly Notices
of the Royal Astronomical Society: Letters. Oxford University Press. https://doi.org/10.1093/mnrasl/slu063'
chicago: 'Visbal, Eli, Zoltán Haiman, and Greg L. Bryan. “A No-Go Theorem for Direct
Collapse Black Holes without a Strong Ultraviolet Background.” Monthly Notices
of the Royal Astronomical Society: Letters. Oxford University Press, 2014.
https://doi.org/10.1093/mnrasl/slu063.'
ieee: 'E. Visbal, Z. Haiman, and G. L. Bryan, “A no-go theorem for direct collapse
black holes without a strong ultraviolet background,” Monthly Notices of the
Royal Astronomical Society: Letters, vol. 442, no. 1. Oxford University Press,
pp. L100–L104, 2014.'
ista: 'Visbal E, Haiman Z, Bryan GL. 2014. A no-go theorem for direct collapse black
holes without a strong ultraviolet background. Monthly Notices of the Royal Astronomical
Society: Letters. 442(1), L100–L104.'
mla: 'Visbal, Eli, et al. “A No-Go Theorem for Direct Collapse Black Holes without
a Strong Ultraviolet Background.” Monthly Notices of the Royal Astronomical
Society: Letters, vol. 442, no. 1, Oxford University Press, 2014, pp. L100–04,
doi:10.1093/mnrasl/slu063.'
short: 'E. Visbal, Z. Haiman, G.L. Bryan, Monthly Notices of the Royal Astronomical
Society: Letters 442 (2014) L100–L104.'
date_created: 2024-09-06T07:22:36Z
date_published: 2014-06-10T00:00:00Z
date_updated: 2024-09-24T12:04:03Z
day: '10'
doi: 10.1093/mnrasl/slu063
extern: '1'
fulldoi: https://doi.org/10.1093/mnrasl/slu063
intvolume: ' 442'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnrasl/slu063
month: '06'
oa: 1
oa_version: Published Version
page: L100-L104
publication: 'Monthly Notices of the Royal Astronomical Society: Letters'
publication_identifier:
issn:
- 1745-3933
- 1745-3925
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: A no-go theorem for direct collapse black holes without a strong ultraviolet
background
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 442
year: '2014'
...
---
_id: '17644'
abstract:
- lang: eng
text: We present the results of a calculation of the thermal spectrum from a 2D,
moving mesh, high-accuracy, viscous hydrodynamical simulation of an accreting
supermassive black hole (SMBHs) binary. We include viscous heating, shock heating,
and radiative cooling, evolving for longer than a viscous time so that we reach
a quasi-steady accretion state. In agreement with previous work, we find that
gas is efficiently stripped from the inner edge of the circumbinary disc and enters
the cavity along accretion streams, which feed persistent ‘minidiscs’ surrounding
each black hole. We also find that emission from the shock-heated minidiscs and
accretion streams prevents any deficit in high-energy emission that may be expected
inside the circumbinary cavity, and instead leads to a characteristic brightening
of the spectrum beginning in soft X-rays.
article_processing_charge: No
article_type: original
author:
- first_name: Brian D.
full_name: Farris, Brian D.
last_name: Farris
- first_name: Paul
full_name: Duffell, Paul
last_name: Duffell
- first_name: Andrew I.
full_name: MacFadyen, Andrew I.
last_name: MacFadyen
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: 'Farris BD, Duffell P, MacFadyen AI, Haiman Z. Characteristic signatures in
the thermal emission from accreting binary black holes. Monthly Notices of
the Royal Astronomical Society: Letters. 2014;446(1):L36-L40. doi:10.1093/mnrasl/slu160'
apa: 'Farris, B. D., Duffell, P., MacFadyen, A. I., & Haiman, Z. (2014). Characteristic
signatures in the thermal emission from accreting binary black holes. Monthly
Notices of the Royal Astronomical Society: Letters. Oxford University Press.
https://doi.org/10.1093/mnrasl/slu160'
chicago: 'Farris, Brian D., Paul Duffell, Andrew I. MacFadyen, and Zoltán Haiman.
“Characteristic Signatures in the Thermal Emission from Accreting Binary Black
Holes.” Monthly Notices of the Royal Astronomical Society: Letters. Oxford
University Press, 2014. https://doi.org/10.1093/mnrasl/slu160.'
ieee: 'B. D. Farris, P. Duffell, A. I. MacFadyen, and Z. Haiman, “Characteristic
signatures in the thermal emission from accreting binary black holes,” Monthly
Notices of the Royal Astronomical Society: Letters, vol. 446, no. 1. Oxford
University Press, pp. L36–L40, 2014.'
ista: 'Farris BD, Duffell P, MacFadyen AI, Haiman Z. 2014. Characteristic signatures
in the thermal emission from accreting binary black holes. Monthly Notices of
the Royal Astronomical Society: Letters. 446(1), L36–L40.'
mla: 'Farris, Brian D., et al. “Characteristic Signatures in the Thermal Emission
from Accreting Binary Black Holes.” Monthly Notices of the Royal Astronomical
Society: Letters, vol. 446, no. 1, Oxford University Press, 2014, pp. L36–40,
doi:10.1093/mnrasl/slu160.'
short: 'B.D. Farris, P. Duffell, A.I. MacFadyen, Z. Haiman, Monthly Notices of the
Royal Astronomical Society: Letters 446 (2014) L36–L40.'
date_created: 2024-09-06T07:23:36Z
date_published: 2014-11-10T00:00:00Z
date_updated: 2024-09-24T12:07:00Z
day: '10'
doi: 10.1093/mnrasl/slu160
extern: '1'
fulldoi: https://doi.org/10.1093/mnrasl/slu160
intvolume: ' 446'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnrasl/slu160
month: '11'
oa: 1
oa_version: Published Version
page: L36-L40
publication: 'Monthly Notices of the Royal Astronomical Society: Letters'
publication_identifier:
issn:
- 1745-3933
- 1745-3925
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Characteristic signatures in the thermal emission from accreting binary black
holes
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 446
year: '2014'
...
---
_id: '17645'
abstract:
- lang: eng
text: The rapid decline in the number of strong Lyman Alpha (Lya) emitting galaxies
at z > 6 provides evidence for neutral hydrogen in the IGM, but is difficult to
explain with plausible models for reionization. We demonstrate that the observed
reduction in Lya flux from galaxies at z > 6 can be explained by evolution in
the escape fraction of ionizing photons, f_esc. We find that the median observed
drop in the fraction of galaxies showing strong Lya emission, as well as the observed
evolution of the Lya luminosity function both follow from a small increase in
f_esc of Delta f_esc ~ 0.1 from f_esc ~ 0.6 at z ~ 6. This high escape fraction
may be at odds with current constraints on the ionising photon escape fraction,
which favor smaller values of f_esc < 20%. However, models that invoke a redshift
evolution of f_ esc that is consistent with these constraints can suppress the
z~7 Lya flux to the observed level, if they also include a small evolution in
global neutral fraction of Delta x_HI ~ 0.2. Thus, an evolving escape fraction
of ionising photons can be a plausible part of the explanation for evolution in
the Lya emission of high redshift galaxies. More generally, our analysis also
shows that the drop in the Lya fraction is quantitatively consistent with the
observed evolution in the Lya luminosity functions of Lya Emitters.
article_processing_charge: No
article_type: original
author:
- first_name: Mark
full_name: Dijkstra, Mark
last_name: Dijkstra
- first_name: Stuart
full_name: Wyithe, Stuart
last_name: Wyithe
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Andrei
full_name: Mesinger, Andrei
last_name: Mesinger
- first_name: Laura
full_name: Pentericci, Laura
last_name: Pentericci
citation:
ama: Dijkstra M, Wyithe S, Haiman Z, Mesinger A, Pentericci L. Evolution in the
escape fraction of ionizing photons and the decline in strong Lyα emission from
z > 6 galaxies. Monthly Notices of the Royal Astronomical Society.
2014;440(4):3309-3316. doi:10.1093/mnras/stu531
apa: Dijkstra, M., Wyithe, S., Haiman, Z., Mesinger, A., & Pentericci, L. (2014).
Evolution in the escape fraction of ionizing photons and the decline in strong
Lyα emission from z > 6 galaxies. Monthly Notices of the Royal Astronomical
Society. Oxford University Press. https://doi.org/10.1093/mnras/stu531
chicago: Dijkstra, Mark, Stuart Wyithe, Zoltán Haiman, Andrei Mesinger, and Laura
Pentericci. “Evolution in the Escape Fraction of Ionizing Photons and the Decline
in Strong Lyα Emission from z > 6 Galaxies.” Monthly Notices of the Royal
Astronomical Society. Oxford University Press, 2014. https://doi.org/10.1093/mnras/stu531.
ieee: M. Dijkstra, S. Wyithe, Z. Haiman, A. Mesinger, and L. Pentericci, “Evolution
in the escape fraction of ionizing photons and the decline in strong Lyα emission
from z > 6 galaxies,” Monthly Notices of the Royal Astronomical Society,
vol. 440, no. 4. Oxford University Press, pp. 3309–3316, 2014.
ista: Dijkstra M, Wyithe S, Haiman Z, Mesinger A, Pentericci L. 2014. Evolution
in the escape fraction of ionizing photons and the decline in strong Lyα emission
from z > 6 galaxies. Monthly Notices of the Royal Astronomical Society. 440(4),
3309–3316.
mla: Dijkstra, Mark, et al. “Evolution in the Escape Fraction of Ionizing Photons
and the Decline in Strong Lyα Emission from z > 6 Galaxies.” Monthly Notices
of the Royal Astronomical Society, vol. 440, no. 4, Oxford University Press,
2014, pp. 3309–16, doi:10.1093/mnras/stu531.
short: M. Dijkstra, S. Wyithe, Z. Haiman, A. Mesinger, L. Pentericci, Monthly Notices
of the Royal Astronomical Society 440 (2014) 3309–3316.
date_created: 2024-09-06T07:24:26Z
date_published: 2014-04-17T00:00:00Z
date_updated: 2024-09-24T12:10:12Z
day: '17'
doi: 10.1093/mnras/stu531
extern: '1'
fulldoi: https://doi.org/10.1093/mnras/stu531
intvolume: ' 440'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnras/stu531
month: '04'
oa: 1
oa_version: Published Version
page: 3309-3316
publication: Monthly Notices of the Royal Astronomical Society
publication_identifier:
issn:
- 1365-2966
- 0035-8711
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Evolution in the escape fraction of ionizing photons and the decline in strong
Lyα emission from z > 6 galaxies
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 440
year: '2014'
...
---
_id: '17650'
abstract:
- lang: eng
text: High-redshift quasar observations imply that supermassive black holes (SMBHs)
larger than ∼109 M⊙ formed before z=6. That such large SMBHs formed so early in
the Universe remains an open theoretical problem. One possibility is that gas
in atomic cooling halos exposed to strong Lyman-Werner (LW) radiation forms 104−106
M⊙ supermassive stars which quickly collapse into black holes. We propose a scenario
for direct collapse black hole (DCBH) formation based on synchronized pairs of
pristine atomic cooling halos. We consider halos at very small separation with
one halo being a subhalo of the other. The first halo to surpass the atomic cooling
threshold forms stars. Soon after these stars are formed, the other halo reaches
the cooling threshold and due to its small distance from the newly formed galaxy,
is exposed to the critical LW intensity required to form a DCBH. The main advantage
of this scenario is that synchronization can potentially prevent photoevaporation
and metal pollution in DCBH-forming halos. Since the halos reach the atomic cooling
threshold at nearly the same time, the DCBH-forming halo is only exposed to ionizing
radiation for a brief period. Tight synchronization could allow the DCBH to form
before stars in the nearby galaxy reach the end of their lives and generate supernovae
winds. We use N-body simulations to estimate the abundance of DCBHs formed in
this way. The largest source of uncertainty in our estimate is the initial mass
function (IMF) of metal free stars formed in atomic cooling halos. We find that
even for tight synchronization, the density of DCBHs formed in this scenario could
explain the SMBHs implied by z=6 quasar observations. Metal pollution and photoevaporation
could potentially reduce the abundance of DCBHs below that required to explain
the observations in other models that rely on a high LW flux.
article_processing_charge: No
article_type: original
author:
- first_name: Eli
full_name: Visbal, Eli
last_name: Visbal
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Greg L.
full_name: Bryan, Greg L.
last_name: Bryan
citation:
ama: Visbal E, Haiman Z, Bryan GL. Direct collapse black hole formation from synchronized
pairs of atomic cooling haloes. Monthly Notices of the Royal Astronomical Society.
2014;445(1):1056-1063. doi:10.1093/mnras/stu1794
apa: Visbal, E., Haiman, Z., & Bryan, G. L. (2014). Direct collapse black hole
formation from synchronized pairs of atomic cooling haloes. Monthly Notices
of the Royal Astronomical Society. Oxford University Press. https://doi.org/10.1093/mnras/stu1794
chicago: Visbal, Eli, Zoltán Haiman, and Greg L. Bryan. “Direct Collapse Black Hole
Formation from Synchronized Pairs of Atomic Cooling Haloes.” Monthly Notices
of the Royal Astronomical Society. Oxford University Press, 2014. https://doi.org/10.1093/mnras/stu1794.
ieee: E. Visbal, Z. Haiman, and G. L. Bryan, “Direct collapse black hole formation
from synchronized pairs of atomic cooling haloes,” Monthly Notices of the Royal
Astronomical Society, vol. 445, no. 1. Oxford University Press, pp. 1056–1063,
2014.
ista: Visbal E, Haiman Z, Bryan GL. 2014. Direct collapse black hole formation from
synchronized pairs of atomic cooling haloes. Monthly Notices of the Royal Astronomical
Society. 445(1), 1056–1063.
mla: Visbal, Eli, et al. “Direct Collapse Black Hole Formation from Synchronized
Pairs of Atomic Cooling Haloes.” Monthly Notices of the Royal Astronomical
Society, vol. 445, no. 1, Oxford University Press, 2014, pp. 1056–63, doi:10.1093/mnras/stu1794.
short: E. Visbal, Z. Haiman, G.L. Bryan, Monthly Notices of the Royal Astronomical
Society 445 (2014) 1056–1063.
date_created: 2024-09-06T07:28:59Z
date_published: 2014-10-08T00:00:00Z
date_updated: 2024-09-24T13:02:31Z
day: '08'
doi: 10.1093/mnras/stu1794
extern: '1'
fulldoi: https://doi.org/10.1093/mnras/stu1794
intvolume: ' 445'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnras/stu1794
month: '10'
oa: 1
oa_version: Published Version
page: 1056-1063
publication: Monthly Notices of the Royal Astronomical Society
publication_identifier:
issn:
- 0035-8711
- 1365-2966
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Direct collapse black hole formation from synchronized pairs of atomic cooling
haloes
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 445
year: '2014'
...
---
_id: '17682'
abstract:
- lang: eng
text: 'We propose a new spectral signature for supermassive black hole binaries
(SMBHBs) with circumbinary gas discs: a sharp drop in flux bluewards of the Lyman
limit. A prominent edge is produced if the gas dominating the emission in the
Lyman continuum region of the spectrum is sufficiently cold (T ≲ 20 000 K) to
contain significant neutral hydrogen. Circumbinary discs may be in this regime
if the binary torques open a central cavity in the disc and clear most of the
hot gas from the inner region, and if any residual UV emission from the individual
BHs is either dim or intermittent. We model the vertical structure and spectra
of circumbinary discs using the radiative transfer code tlusty, and identify the
range of BH masses and binary separations producing a Lyman edge. We find that
compact supermassive (M ≳ 108 M⊙) binaries with orbital periods of ∼0.1–10 yr,
whose gravitational waves are expected to be detectable by pulsar timing arrays,
could have prominent Lyman edges. Such strong spectral edge features are not typically
present in AGN spectra and could serve as corroborating evidence for the presence
of an SMBHB.'
article_processing_charge: No
article_type: original
author:
- first_name: Aleksey
full_name: Generozov, Aleksey
last_name: Generozov
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: 'Generozov A, Haiman Z. Lyman edges in supermassive black hole binaries. Monthly
Notices of the Royal Astronomical Society: Letters. 2014;443(1):L64-L68. doi:10.1093/mnrasl/slu075'
apa: 'Generozov, A., & Haiman, Z. (2014). Lyman edges in supermassive black
hole binaries. Monthly Notices of the Royal Astronomical Society: Letters.
Oxford University Press. https://doi.org/10.1093/mnrasl/slu075'
chicago: 'Generozov, Aleksey, and Zoltán Haiman. “Lyman Edges in Supermassive Black
Hole Binaries.” Monthly Notices of the Royal Astronomical Society: Letters.
Oxford University Press, 2014. https://doi.org/10.1093/mnrasl/slu075.'
ieee: 'A. Generozov and Z. Haiman, “Lyman edges in supermassive black hole binaries,”
Monthly Notices of the Royal Astronomical Society: Letters, vol. 443, no.
1. Oxford University Press, pp. L64–L68, 2014.'
ista: 'Generozov A, Haiman Z. 2014. Lyman edges in supermassive black hole binaries.
Monthly Notices of the Royal Astronomical Society: Letters. 443(1), L64–L68.'
mla: 'Generozov, Aleksey, and Zoltán Haiman. “Lyman Edges in Supermassive Black
Hole Binaries.” Monthly Notices of the Royal Astronomical Society: Letters,
vol. 443, no. 1, Oxford University Press, 2014, pp. L64–68, doi:10.1093/mnrasl/slu075.'
short: 'A. Generozov, Z. Haiman, Monthly Notices of the Royal Astronomical Society:
Letters 443 (2014) L64–L68.'
date_created: 2024-09-06T08:15:56Z
date_published: 2014-07-02T00:00:00Z
date_updated: 2024-09-25T09:10:05Z
day: '02'
doi: 10.1093/mnrasl/slu075
extern: '1'
fulldoi: https://doi.org/10.1093/mnrasl/slu075
intvolume: ' 443'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnrasl/slu075
month: '07'
oa: 1
oa_version: Published Version
page: L64-L68
publication: 'Monthly Notices of the Royal Astronomical Society: Letters'
publication_identifier:
issn:
- 1745-3933
- 1745-3925
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Lyman edges in supermassive black hole binaries
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 443
year: '2014'
...
---
_id: '17689'
abstract:
- lang: eng
text: We report the serendipitous discoveries of companion galaxies to two high-redshift
quasars. SDSS J025617.7+001904 is a z=4.79 quasar included in our recent survey
of faint quasars in the SDSS Stripe 82 region. The initial MMT slit spectroscopy
shows excess Lyman alpha emission extending well beyond the quasar's light profile.
Further imaging and spectroscopy with LBT/MODS1 confirms the presence of a bright
galaxy (i_AB = 23.6) located 2arcsec (12 kpc projected) from the quasar with strong
Lyman alpha emission (EW_0 ~ 100Ang) at the redshift of the quasar, as well as
faint continuum. The second quasar, CFHQS J005006.6+344522 (z=6.25), is included
in our recent HST SNAP survey of z~6 quasars searching for evidence of gravitational
lensing. Deep imaging with ACS and WFC3 confirms an optical dropout ~4.5 mag fainter
than the quasar (Y_AB=25) at a separation of 0.9 arcsec. The red i_775-Y_105 color
of the galaxy and its proximity to the quasar (5 kpc projected if at the quasar
redshift) strongly favor an association with the quasar. Although it is much fainter
than the quasar it is remarkably bright when compared to field galaxies at this
redshift, while showing no evidence for lensing. Both systems may represent late-stage
mergers of two massive galaxies, with the observed light for one dominated by
powerful ongoing star formation and for the other by rapid black hole growth.
Observations of close companions are rare; if major mergers are primarily responsible
for high-redshift quasar fueling then the phase when progenitor galaxies can be
observed as bright companions is relatively short.
article_number: '73'
article_processing_charge: No
article_type: original
author:
- first_name: Ian D.
full_name: McGreer, Ian D.
last_name: McGreer
- first_name: Xiaohui
full_name: Fan, Xiaohui
last_name: Fan
- first_name: Michael A.
full_name: Strauss, Michael A.
last_name: Strauss
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Gordon T.
full_name: Richards, Gordon T.
last_name: Richards
- first_name: Linhua
full_name: Jiang, Linhua
last_name: Jiang
- first_name: Fuyan
full_name: Bian, Fuyan
last_name: Bian
- first_name: Donald P.
full_name: Schneider, Donald P.
last_name: Schneider
citation:
ama: McGreer ID, Fan X, Strauss MA, et al. Close companions to two high-redshift
quasars. The Astronomical Journal. 2014;148(4). doi:10.1088/0004-6256/148/4/73
apa: McGreer, I. D., Fan, X., Strauss, M. A., Haiman, Z., Richards, G. T., Jiang,
L., … Schneider, D. P. (2014). Close companions to two high-redshift quasars.
The Astronomical Journal. American Astronomical Society. https://doi.org/10.1088/0004-6256/148/4/73
chicago: McGreer, Ian D., Xiaohui Fan, Michael A. Strauss, Zoltán Haiman, Gordon
T. Richards, Linhua Jiang, Fuyan Bian, and Donald P. Schneider. “Close Companions
to Two High-Redshift Quasars.” The Astronomical Journal. American Astronomical
Society, 2014. https://doi.org/10.1088/0004-6256/148/4/73.
ieee: I. D. McGreer et al., “Close companions to two high-redshift quasars,”
The Astronomical Journal, vol. 148, no. 4. American Astronomical Society,
2014.
ista: McGreer ID, Fan X, Strauss MA, Haiman Z, Richards GT, Jiang L, Bian F, Schneider
DP. 2014. Close companions to two high-redshift quasars. The Astronomical Journal.
148(4), 73.
mla: McGreer, Ian D., et al. “Close Companions to Two High-Redshift Quasars.” The
Astronomical Journal, vol. 148, no. 4, 73, American Astronomical Society,
2014, doi:10.1088/0004-6256/148/4/73.
short: I.D. McGreer, X. Fan, M.A. Strauss, Z. Haiman, G.T. Richards, L. Jiang, F.
Bian, D.P. Schneider, The Astronomical Journal 148 (2014).
date_created: 2024-09-06T08:24:25Z
date_published: 2014-09-15T00:00:00Z
date_updated: 2024-09-25T09:51:31Z
day: '15'
doi: 10.1088/0004-6256/148/4/73
extern: '1'
fulldoi: https://doi.org/10.1088/0004-6256/148/4/73
intvolume: ' 148'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1088/0004-6256/148/4/73
month: '09'
oa: 1
oa_version: Published Version
publication: The Astronomical Journal
publication_identifier:
issn:
- 1538-3881
publication_status: published
publisher: American Astronomical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Close companions to two high-redshift quasars
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 148
year: '2014'
...
---
_id: '17692'
abstract:
- lang: eng
text: Quadrupole oscillation modes in stars can resonate with incident gravitational
waves (GWs), and grow non-linear at the expense of GW energy. Stars near massive
black hole binaries (MBHBs) can act as GW-charged batteries, discharging radiatively.
Mass-loss from these stars can prompt MBHB accretion at near-Eddington rates.
GW opacity is independent of amplitude, so distant resonating stars can eclipse
GW sources. Absorption by the Sun of GWs from Galactic white dwarf binaries may
be detectable with second-generation space-based GW detectors as a shadow within
a complex diffraction pattern.
article_processing_charge: No
article_type: original
author:
- first_name: B.
full_name: McKernan, B.
last_name: McKernan
- first_name: K. E. S.
full_name: Ford, K. E. S.
last_name: Ford
- first_name: B.
full_name: Kocsis, B.
last_name: Kocsis
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: 'McKernan B, Ford KES, Kocsis B, Haiman Z. Stars as resonant absorbers of gravitational
waves. Monthly Notices of the Royal Astronomical Society: Letters. 2014;445(1):L74-L78.
doi:10.1093/mnrasl/slu136'
apa: 'McKernan, B., Ford, K. E. S., Kocsis, B., & Haiman, Z. (2014). Stars as
resonant absorbers of gravitational waves. Monthly Notices of the Royal Astronomical
Society: Letters. Oxford University Press. https://doi.org/10.1093/mnrasl/slu136'
chicago: 'McKernan, B., K. E. S. Ford, B. Kocsis, and Zoltán Haiman. “Stars as Resonant
Absorbers of Gravitational Waves.” Monthly Notices of the Royal Astronomical
Society: Letters. Oxford University Press, 2014. https://doi.org/10.1093/mnrasl/slu136.'
ieee: 'B. McKernan, K. E. S. Ford, B. Kocsis, and Z. Haiman, “Stars as resonant
absorbers of gravitational waves,” Monthly Notices of the Royal Astronomical
Society: Letters, vol. 445, no. 1. Oxford University Press, pp. L74–L78, 2014.'
ista: 'McKernan B, Ford KES, Kocsis B, Haiman Z. 2014. Stars as resonant absorbers
of gravitational waves. Monthly Notices of the Royal Astronomical Society: Letters.
445(1), L74–L78.'
mla: 'McKernan, B., et al. “Stars as Resonant Absorbers of Gravitational Waves.”
Monthly Notices of the Royal Astronomical Society: Letters, vol. 445, no.
1, Oxford University Press, 2014, pp. L74–78, doi:10.1093/mnrasl/slu136.'
short: 'B. McKernan, K.E.S. Ford, B. Kocsis, Z. Haiman, Monthly Notices of the Royal
Astronomical Society: Letters 445 (2014) L74–L78.'
date_created: 2024-09-06T08:38:54Z
date_published: 2014-09-18T00:00:00Z
date_updated: 2024-09-25T09:58:34Z
day: '18'
doi: 10.1093/mnrasl/slu136
extern: '1'
fulldoi: https://doi.org/10.1093/mnrasl/slu136
intvolume: ' 445'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1093/mnrasl/slu136
month: '09'
oa: 1
oa_version: Published Version
page: L74-L78
publication: 'Monthly Notices of the Royal Astronomical Society: Letters'
publication_identifier:
issn:
- 1745-3933
- 1745-3925
publication_status: published
publisher: Oxford University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Stars as resonant absorbers of gravitational waves
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 445
year: '2014'
...
---
_id: '17703'
abstract:
- lang: eng
text: The weak lensing power spectrum is a powerful tool to probe cosmological parameters.
Additionally, lensing peak counts contain cosmological information beyond the
power spectrum. Both of these statistics can be affected by the preferential selection
of source galaxies in patches of the sky with high magnification, as well as by
the dilution in the source galaxy surface density in such regions. If not accounted
for, these biases introduce systematic errors for cosmological measurements. Here
we quantify these systematic errors, using convergence maps from a suite of ray-tracing
N-body simulations. At the cut-off magnitude m of on-going and planned major weak
lensing surveys, the logarithmic slope of the cumulative number counts s = dlog[n(>m)]/dlog(m)
is in the range 0.1 < s < 0.5. At s = 0.2, expected in the I band for LSST, the
inferred values of Omega_m, w and sigma_8 are biased by many sigma (where sigma
denotes the marginalized error) and therefore the biases will need to be carefully
modeled. We also find that the parameters are biased differently in the (Omega_m,
w, sigma_8) parameter space when the power spectrum and when the peak counts are
used. In particular, w derived from the power spectrum is less affected than w
derived from peak counts, while the opposite is true for the best-constrained
combination of [sigma_8 Omega_m^gamma] (with gamma=0.62 from the power spectrum
and gamma = 0.48 from peak counts). This suggests that the combination of the
power spectrum and peak counts can help mitigate the impact of magnification and
size biases.
article_number: '023515'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Jia
full_name: Liu, Jia
last_name: Liu
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Lam
full_name: Hui, Lam
last_name: Hui
- first_name: Jan M.
full_name: Kratochvil, Jan M.
last_name: Kratochvil
- first_name: Morgan
full_name: May, Morgan
last_name: May
citation:
ama: Liu J, Haiman Z, Hui L, Kratochvil JM, May M. Impact of magnification and size
bias on the weak lensing power spectrum and peak statistics. Physical Review
D. 2014;89(2). doi:10.1103/physrevd.89.023515
apa: Liu, J., Haiman, Z., Hui, L., Kratochvil, J. M., & May, M. (2014). Impact
of magnification and size bias on the weak lensing power spectrum and peak statistics.
Physical Review D. American Physical Society. https://doi.org/10.1103/physrevd.89.023515
chicago: Liu, Jia, Zoltán Haiman, Lam Hui, Jan M. Kratochvil, and Morgan May. “Impact
of Magnification and Size Bias on the Weak Lensing Power Spectrum and Peak Statistics.”
Physical Review D. American Physical Society, 2014. https://doi.org/10.1103/physrevd.89.023515.
ieee: J. Liu, Z. Haiman, L. Hui, J. M. Kratochvil, and M. May, “Impact of magnification
and size bias on the weak lensing power spectrum and peak statistics,” Physical
Review D, vol. 89, no. 2. American Physical Society, 2014.
ista: Liu J, Haiman Z, Hui L, Kratochvil JM, May M. 2014. Impact of magnification
and size bias on the weak lensing power spectrum and peak statistics. Physical
Review D. 89(2), 023515.
mla: Liu, Jia, et al. “Impact of Magnification and Size Bias on the Weak Lensing
Power Spectrum and Peak Statistics.” Physical Review D, vol. 89, no. 2,
023515, American Physical Society, 2014, doi:10.1103/physrevd.89.023515.
short: J. Liu, Z. Haiman, L. Hui, J.M. Kratochvil, M. May, Physical Review D 89
(2014).
date_created: 2024-09-06T08:49:04Z
date_published: 2014-01-21T00:00:00Z
date_updated: 2024-09-25T11:33:58Z
day: '21'
doi: 10.1103/physrevd.89.023515
extern: '1'
external_id:
arxiv:
- '1310.7517'
fulldoi: https://doi.org/10.1103/physrevd.89.023515
intvolume: ' 89'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.1310.7517'
month: '01'
oa: 1
oa_version: Preprint
publication: Physical Review D
publication_identifier:
issn:
- 1550-7998
- 1550-2368
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Impact of magnification and size bias on the weak lensing power spectrum and
peak statistics
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 89
year: '2014'
...
---
OA_type: closed access
_id: '17977'
abstract:
- lang: eng
text: Primary amines can interact with neighbor molecules or with a metal substrate
via weak bonds involving the electron lone pair of their amino functional group.
Near edge X-ray absorption spectra (NEXAFS) on the N 1s edge show that the structure
of the empty molecular orbitals localized on the nitrogen atom is very sensitive
to these interactions. Here we investigate the origin of these changes by means
of theoretical calculations. NEXAFS spectra are simulated for the 1,4-benzenediamine
(BDA) molecule in its free, crystalline, and monolayer on Au(111) forms. We identify
the electronic states which are affected by these amino-based interactions. In
the case of the molecular layer grown on the gold substrate, we show how the results
of the calculations can be used to identify intermolecular interactions influencing
adsorption geometries in molecular monolayers.
article_processing_charge: No
article_type: original
author:
- first_name: Gabriele
full_name: Balducci, Gabriele
last_name: Balducci
- first_name: Michele
full_name: Romeo, Michele
last_name: Romeo
- first_name: Mauro
full_name: Stener, Mauro
last_name: Stener
- first_name: Giovanna
full_name: Fronzoni, Giovanna
last_name: Fronzoni
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Albano
full_name: Cossaro, Albano
last_name: Cossaro
- first_name: Martina
full_name: Dell’Angela, Martina
last_name: Dell’Angela
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Alberto
full_name: Morgante, Alberto
last_name: Morgante
citation:
ama: 'Balducci G, Romeo M, Stener M, et al. Computational study of amino mediated
molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111).
The Journal of Physical Chemistry C. 2014;119(4):1988-1995. doi:10.1021/jp512146t'
apa: 'Balducci, G., Romeo, M., Stener, M., Fronzoni, G., Cvetko, D., Cossaro, A.,
… Morgante, A. (2014). Computational study of amino mediated molecular interaction
evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111). The Journal of Physical
Chemistry C. American Chemical Society. https://doi.org/10.1021/jp512146t'
chicago: 'Balducci, Gabriele, Michele Romeo, Mauro Stener, Giovanna Fronzoni, Dean
Cvetko, Albano Cossaro, Martina Dell’Angela, Gregor Kladnik, Latha Venkataraman,
and Alberto Morgante. “Computational Study of Amino Mediated Molecular Interaction
Evidenced in N 1s NEXAFS: 1,4-Diaminobenzene on Au (111).” The Journal of Physical
Chemistry C. American Chemical Society, 2014. https://doi.org/10.1021/jp512146t.'
ieee: 'G. Balducci et al., “Computational study of amino mediated molecular
interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111),” The
Journal of Physical Chemistry C, vol. 119, no. 4. American Chemical Society,
pp. 1988–1995, 2014.'
ista: 'Balducci G, Romeo M, Stener M, Fronzoni G, Cvetko D, Cossaro A, Dell’Angela
M, Kladnik G, Venkataraman L, Morgante A. 2014. Computational study of amino mediated
molecular interaction evidenced in N 1s NEXAFS: 1,4-diaminobenzene on Au (111).
The Journal of Physical Chemistry C. 119(4), 1988–1995.'
mla: 'Balducci, Gabriele, et al. “Computational Study of Amino Mediated Molecular
Interaction Evidenced in N 1s NEXAFS: 1,4-Diaminobenzene on Au (111).” The
Journal of Physical Chemistry C, vol. 119, no. 4, American Chemical Society,
2014, pp. 1988–95, doi:10.1021/jp512146t.'
short: G. Balducci, M. Romeo, M. Stener, G. Fronzoni, D. Cvetko, A. Cossaro, M.
Dell’Angela, G. Kladnik, L. Venkataraman, A. Morgante, The Journal of Physical
Chemistry C 119 (2014) 1988–1995.
date_created: 2024-09-09T10:56:21Z
date_published: 2014-12-29T00:00:00Z
date_updated: 2025-01-02T13:40:42Z
day: '29'
doi: 10.1021/jp512146t
extern: '1'
fulldoi: https://doi.org/10.1021/jp512146t
intvolume: ' 119'
issue: '4'
language:
- iso: eng
month: '12'
oa_version: None
page: 1988-1995
publication: The Journal of Physical Chemistry C
publication_identifier:
eissn:
- 1932-7455
issn:
- 1932-7447
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Computational study of amino mediated molecular interaction evidenced in N
1s NEXAFS: 1,4-diaminobenzene on Au (111)'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 119
year: '2014'
...
---
OA_type: closed access
_id: '17978'
abstract:
- lang: eng
text: We studied the formation of graphene nanoribbons (GNRs) via the self-assembly
of 10,10′-dibromo-9,9′-bianthryl precursor molecules on gold surfaces with different
synchrotron spectroscopies. Through X-ray photoemission spectroscopy core-level
shifts, we followed each step of the synthetic process, and could show that the
Br–C bonds of the precursors cleave at temperatures as low as 100 °C on both Au(111)
and Au(110). We established that the resulting radicals bind to Au, forming Au–C
and Au–Br bonds. We show that the polymerization of the precursors follows Br
desorption from Au, suggesting that the presence of halogens is the limiting factor
in this step. Finally, with angle-resolved ultraviolet photoemission spectroscopy
and density functional theory we show that the GNR/Au interaction results in an
upshift of the Shockley surface state of Au(111) by ∼0.14 eV, together with an
increased electron effective mass.
article_processing_charge: No
article_type: original
author:
- first_name: Arunabh
full_name: Batra, Arunabh
last_name: Batra
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Olgun
full_name: Adak, Olgun
last_name: Adak
- first_name: Claudia
full_name: Cardoso, Claudia
last_name: Cardoso
- first_name: Andrea
full_name: Ferretti, Andrea
last_name: Ferretti
- first_name: Deborah
full_name: Prezzi, Deborah
last_name: Prezzi
- first_name: Elisa
full_name: Molinari, Elisa
last_name: Molinari
- first_name: Alberto
full_name: Morgante, Alberto
last_name: Morgante
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Batra A, Cvetko D, Kladnik G, et al. Probing the mechanism for graphene nanoribbon
formation on gold surfaces through X-ray spectroscopy. Chemical Science.
2014;5(11):4419-4423. doi:10.1039/c4sc01584c
apa: Batra, A., Cvetko, D., Kladnik, G., Adak, O., Cardoso, C., Ferretti, A., …
Venkataraman, L. (2014). Probing the mechanism for graphene nanoribbon formation
on gold surfaces through X-ray spectroscopy. Chemical Science. Royal Society
of Chemistry. https://doi.org/10.1039/c4sc01584c
chicago: Batra, Arunabh, Dean Cvetko, Gregor Kladnik, Olgun Adak, Claudia Cardoso,
Andrea Ferretti, Deborah Prezzi, Elisa Molinari, Alberto Morgante, and Latha Venkataraman.
“Probing the Mechanism for Graphene Nanoribbon Formation on Gold Surfaces through
X-Ray Spectroscopy.” Chemical Science. Royal Society of Chemistry, 2014.
https://doi.org/10.1039/c4sc01584c.
ieee: A. Batra et al., “Probing the mechanism for graphene nanoribbon formation
on gold surfaces through X-ray spectroscopy,” Chemical Science, vol. 5,
no. 11. Royal Society of Chemistry, pp. 4419–4423, 2014.
ista: Batra A, Cvetko D, Kladnik G, Adak O, Cardoso C, Ferretti A, Prezzi D, Molinari
E, Morgante A, Venkataraman L. 2014. Probing the mechanism for graphene nanoribbon
formation on gold surfaces through X-ray spectroscopy. Chemical Science. 5(11),
4419–4423.
mla: Batra, Arunabh, et al. “Probing the Mechanism for Graphene Nanoribbon Formation
on Gold Surfaces through X-Ray Spectroscopy.” Chemical Science, vol. 5,
no. 11, Royal Society of Chemistry, 2014, pp. 4419–23, doi:10.1039/c4sc01584c.
short: A. Batra, D. Cvetko, G. Kladnik, O. Adak, C. Cardoso, A. Ferretti, D. Prezzi,
E. Molinari, A. Morgante, L. Venkataraman, Chemical Science 5 (2014) 4419–4423.
date_created: 2024-09-09T10:57:04Z
date_published: 2014-07-31T00:00:00Z
date_updated: 2025-01-02T13:44:36Z
day: '31'
doi: 10.1039/c4sc01584c
extern: '1'
fulldoi: https://doi.org/10.1039/c4sc01584c
intvolume: ' 5'
issue: '11'
language:
- iso: eng
month: '07'
oa_version: None
page: 4419-4423
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Probing the mechanism for graphene nanoribbon formation on gold surfaces through
X-ray spectroscopy
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 5
year: '2014'
...
---
OA_type: closed access
_id: '17979'
abstract:
- lang: eng
text: Using scanning tunneling microscope break-junction experiments and a new first-principles
approach to conductance calculations, we report and explain low-bias charge transport
behavior of four types of metal–porphyrin–gold molecular junctions. A nonequilibrium
Green’s function approach based on self-energy corrected density functional theory
and optimally tuned range-separated hybrid functionals is developed and used to
understand experimental trends quantitatively. Importantly, due to the localized
d states of the porphyrin molecules, hybrid functionals are essential for explaining
measurements; standard semilocal functionals yield qualitatively incorrect results.
Comparing directly with experiments, we show that the conductance can change by
nearly a factor of 2 when different metal cations are used, counter to trends
expected from gas-phase ionization energies which are relatively unchanged with
the metal center. Our work explains the sensitivity of the porphyrin conductance
with the metal center via a detailed and quantitative portrait of the interface
electronic structure and provides a new framework for understanding transport
quantitatively in complex junctions involving molecules with localized d states
of relevance to light harvesting and energy conversion.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Zhen-Fei
full_name: Liu, Zhen-Fei
last_name: Liu
- first_name: Sujun
full_name: Wei, Sujun
last_name: Wei
- first_name: Hongsik
full_name: Yoon, Hongsik
last_name: Yoon
- first_name: Olgun
full_name: Adak, Olgun
last_name: Adak
- first_name: Ingrid
full_name: Ponce, Ingrid
last_name: Ponce
- first_name: Yivan
full_name: Jiang, Yivan
last_name: Jiang
- first_name: Woo-Dong
full_name: Jang, Woo-Dong
last_name: Jang
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Jeffrey B.
full_name: Neaton, Jeffrey B.
last_name: Neaton
citation:
ama: Liu Z-F, Wei S, Yoon H, et al. Control of single-molecule junction conductance
of porphyrins via a transition-metal center. Nano Letters. 2014;14(9):5365-5370.
doi:10.1021/nl5025062
apa: Liu, Z.-F., Wei, S., Yoon, H., Adak, O., Ponce, I., Jiang, Y., … Neaton, J.
B. (2014). Control of single-molecule junction conductance of porphyrins via a
transition-metal center. Nano Letters. American Chemical Society. https://doi.org/10.1021/nl5025062
chicago: Liu, Zhen-Fei, Sujun Wei, Hongsik Yoon, Olgun Adak, Ingrid Ponce, Yivan
Jiang, Woo-Dong Jang, Luis M. Campos, Latha Venkataraman, and Jeffrey B. Neaton.
“Control of Single-Molecule Junction Conductance of Porphyrins via a Transition-Metal
Center.” Nano Letters. American Chemical Society, 2014. https://doi.org/10.1021/nl5025062.
ieee: Z.-F. Liu et al., “Control of single-molecule junction conductance
of porphyrins via a transition-metal center,” Nano Letters, vol. 14, no.
9. American Chemical Society, pp. 5365–5370, 2014.
ista: Liu Z-F, Wei S, Yoon H, Adak O, Ponce I, Jiang Y, Jang W-D, Campos LM, Venkataraman
L, Neaton JB. 2014. Control of single-molecule junction conductance of porphyrins
via a transition-metal center. Nano Letters. 14(9), 5365–5370.
mla: Liu, Zhen-Fei, et al. “Control of Single-Molecule Junction Conductance of Porphyrins
via a Transition-Metal Center.” Nano Letters, vol. 14, no. 9, American
Chemical Society, 2014, pp. 5365–70, doi:10.1021/nl5025062.
short: Z.-F. Liu, S. Wei, H. Yoon, O. Adak, I. Ponce, Y. Jiang, W.-D. Jang, L.M.
Campos, L. Venkataraman, J.B. Neaton, Nano Letters 14 (2014) 5365–5370.
date_created: 2024-09-09T10:57:42Z
date_published: 2014-08-11T00:00:00Z
date_updated: 2025-01-02T13:46:59Z
day: '11'
doi: 10.1021/nl5025062
extern: '1'
external_id:
pmid:
- '25111197'
fulldoi: https://doi.org/10.1021/nl5025062
intvolume: ' 14'
issue: '9'
language:
- iso: eng
month: '08'
oa_version: None
page: 5365-5370
pmid: 1
publication: Nano Letters
publication_identifier:
eissn:
- 1530-6992
issn:
- 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Control of single-molecule junction conductance of porphyrins via a transition-metal
center
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2014'
...
---
_id: '17980'
abstract:
- lang: eng
text: We study the formation of covalent gold–carbon bonds in benzyltrimethylstannane
(C10H16Sn) deposited on Au in ultra-high-vacuum conditions. Through X-ray photoemission
spectroscopy and X-ray absorption measurements, we find that the molecule fragments
at the Sn–benzyl bond when exposed to Au surfaces at temperatures as low as −110
°C. The resulting benzyl species is stabilized by the presence of Au(111) but
only forms covalent Au–C bonds on more reactive Au surfaces like Au(110). We also
present spectroscopic proof for the existence of an electronic “gateway” state
localized on the Au–C bond that is responsible for its unique electronic properties.
Finally, we use DFT-based nudged elastic band calculations to elucidate the crucial
role played by the under-coordinated Au surface in the formation of Au–C bonds.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Arunabh
full_name: Batra, Arunabh
last_name: Batra
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Narjes
full_name: Gorjizadeh, Narjes
last_name: Gorjizadeh
- first_name: Jeffrey
full_name: Meisner, Jeffrey
last_name: Meisner
- first_name: Michael
full_name: Steigerwald, Michael
last_name: Steigerwald
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Su Ying
full_name: Quek, Su Ying
last_name: Quek
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Alberto
full_name: Morgante, Alberto
last_name: Morgante
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Batra A, Kladnik G, Gorjizadeh N, et al. Trimethyltin-mediated covalent Gold–Carbon
bond formation. Journal of the American Chemical Society. 2014;136(36):12556-12559.
doi:10.1021/ja5061406
apa: Batra, A., Kladnik, G., Gorjizadeh, N., Meisner, J., Steigerwald, M., Nuckolls,
C., … Venkataraman, L. (2014). Trimethyltin-mediated covalent Gold–Carbon bond
formation. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/ja5061406
chicago: Batra, Arunabh, Gregor Kladnik, Narjes Gorjizadeh, Jeffrey Meisner, Michael
Steigerwald, Colin Nuckolls, Su Ying Quek, Dean Cvetko, Alberto Morgante, and
Latha Venkataraman. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.”
Journal of the American Chemical Society. American Chemical Society, 2014.
https://doi.org/10.1021/ja5061406.
ieee: A. Batra et al., “Trimethyltin-mediated covalent Gold–Carbon bond formation,”
Journal of the American Chemical Society, vol. 136, no. 36. American Chemical
Society, pp. 12556–12559, 2014.
ista: Batra A, Kladnik G, Gorjizadeh N, Meisner J, Steigerwald M, Nuckolls C, Quek
SY, Cvetko D, Morgante A, Venkataraman L. 2014. Trimethyltin-mediated covalent
Gold–Carbon bond formation. Journal of the American Chemical Society. 136(36),
12556–12559.
mla: Batra, Arunabh, et al. “Trimethyltin-Mediated Covalent Gold–Carbon Bond Formation.”
Journal of the American Chemical Society, vol. 136, no. 36, American Chemical
Society, 2014, pp. 12556–59, doi:10.1021/ja5061406.
short: A. Batra, G. Kladnik, N. Gorjizadeh, J. Meisner, M. Steigerwald, C. Nuckolls,
S.Y. Quek, D. Cvetko, A. Morgante, L. Venkataraman, Journal of the American Chemical
Society 136 (2014) 12556–12559.
date_created: 2024-09-09T10:59:21Z
date_published: 2014-08-14T00:00:00Z
date_updated: 2025-01-02T13:49:12Z
day: '14'
doi: 10.1021/ja5061406
extern: '1'
external_id:
pmid:
- '25121718'
fulldoi: https://doi.org/10.1021/ja5061406
intvolume: ' 136'
issue: '36'
language:
- iso: eng
month: '08'
oa_version: None
page: 12556-12559
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Trimethyltin-mediated covalent Gold–Carbon bond formation
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 136
year: '2014'
...
---
_id: '17981'
article_processing_charge: No
article_type: original
author:
- first_name: Justin
full_name: Hodgkiss, Justin
last_name: Hodgkiss
- first_name: Eli
full_name: Zysman-Colman, Eli
last_name: Zysman-Colman
- first_name: Simon
full_name: Higgins, Simon
last_name: Higgins
- first_name: Gemma
full_name: Solomon, Gemma
last_name: Solomon
- first_name: Ioan
full_name: Bâldea, Ioan
last_name: Bâldea
- first_name: Ifor
full_name: Samuel, Ifor
last_name: Samuel
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Fred
full_name: Wudl, Fred
last_name: Wudl
- first_name: Bingqian
full_name: Xu, Bingqian
last_name: Xu
- first_name: Ravindra
full_name: Venkatramani, Ravindra
last_name: Venkatramani
- first_name: Henrik
full_name: Ottosson, Henrik
last_name: Ottosson
- first_name: Dmitrii
full_name: Perepichka, Dmitrii
last_name: Perepichka
- first_name: Uli
full_name: Lemmer, Uli
last_name: Lemmer
- first_name: Peter
full_name: Skabara, Peter
last_name: Skabara
- first_name: Andrew
full_name: Mount, Andrew
last_name: Mount
- first_name: Donal
full_name: Bradley, Donal
last_name: Bradley
citation:
ama: 'Hodgkiss J, Zysman-Colman E, Higgins S, et al. Molecular electronics: General
discussion. Faraday Discuss. 2014;174:125-151. doi:10.1039/c4fd90049a'
apa: 'Hodgkiss, J., Zysman-Colman, E., Higgins, S., Solomon, G., Bâldea, I., Samuel,
I., … Bradley, D. (2014). Molecular electronics: General discussion. Faraday
Discuss. Royal Society of Chemistry. https://doi.org/10.1039/c4fd90049a'
chicago: 'Hodgkiss, Justin, Eli Zysman-Colman, Simon Higgins, Gemma Solomon, Ioan
Bâldea, Ifor Samuel, Latha Venkataraman, et al. “Molecular Electronics: General
Discussion.” Faraday Discuss. Royal Society of Chemistry, 2014. https://doi.org/10.1039/c4fd90049a.'
ieee: 'J. Hodgkiss et al., “Molecular electronics: General discussion,” Faraday
Discuss., vol. 174. Royal Society of Chemistry, pp. 125–151, 2014.'
ista: 'Hodgkiss J, Zysman-Colman E, Higgins S, Solomon G, Bâldea I, Samuel I, Venkataraman
L, Wudl F, Xu B, Venkatramani R, Ottosson H, Perepichka D, Lemmer U, Skabara P,
Mount A, Bradley D. 2014. Molecular electronics: General discussion. Faraday Discuss.
174, 125–151.'
mla: 'Hodgkiss, Justin, et al. “Molecular Electronics: General Discussion.” Faraday
Discuss., vol. 174, Royal Society of Chemistry, 2014, pp. 125–51, doi:10.1039/c4fd90049a.'
short: J. Hodgkiss, E. Zysman-Colman, S. Higgins, G. Solomon, I. Bâldea, I. Samuel,
L. Venkataraman, F. Wudl, B. Xu, R. Venkatramani, H. Ottosson, D. Perepichka,
U. Lemmer, P. Skabara, A. Mount, D. Bradley, Faraday Discuss. 174 (2014) 125–151.
date_created: 2024-09-09T11:03:37Z
date_published: 2014-11-18T00:00:00Z
date_updated: 2025-01-02T14:02:21Z
day: '18'
doi: 10.1039/c4fd90049a
extern: '1'
external_id:
pmid:
- '25406517'
fulldoi: https://doi.org/10.1039/c4fd90049a
intvolume: ' 174'
language:
- iso: eng
month: '11'
oa_version: None
page: 125-151
pmid: 1
publication: Faraday Discuss.
publication_identifier:
eissn:
- 1364-5498
issn:
- 1359-6640
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Molecular electronics: General discussion'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 174
year: '2014'
...
---
OA_type: closed access
_id: '17982'
abstract:
- lang: eng
text: We use scanning tunneling microscope break-junction (STM-BJ) measurements
to study the low-bias conductance and high-bias current–voltage (IV) characteristics
of a series of asymmetric para–meta connected diphenyl-oligoenes. From tight-binding
calculations, we determine that the quantum interference features inherent in
our molecular design result in a ‘through-bond’ coupling on the para-side, and
through-space coupling on the meta-side. We show that these molecular junctions
form single molecule diodes, and show that the rectification results from a difference
in the voltage dependence of the coupling strength on the through-bond and the
through-space side. The interplay between the applied voltage and the molecule–metal
coupling results from the asymmetric polarizability of the conducting orbital
under an external field.
article_processing_charge: No
article_type: original
author:
- first_name: Arunabh
full_name: Batra, Arunabh
last_name: Batra
- first_name: Jeffrey S.
full_name: Meisner, Jeffrey S.
last_name: Meisner
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Qishui
full_name: Chen, Qishui
last_name: Chen
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Batra A, Meisner JS, Darancet P, et al. Molecular diodes enabled by quantum
interference. Faraday Discussions. 2014;174:79-89. doi:10.1039/c4fd00093e
apa: Batra, A., Meisner, J. S., Darancet, P., Chen, Q., Steigerwald, M. L., Nuckolls,
C., & Venkataraman, L. (2014). Molecular diodes enabled by quantum interference.
Faraday Discussions. Royal Society of Chemistry. https://doi.org/10.1039/c4fd00093e
chicago: Batra, Arunabh, Jeffrey S. Meisner, Pierre Darancet, Qishui Chen, Michael
L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Molecular Diodes Enabled
by Quantum Interference.” Faraday Discussions. Royal Society of Chemistry,
2014. https://doi.org/10.1039/c4fd00093e.
ieee: A. Batra et al., “Molecular diodes enabled by quantum interference,”
Faraday Discussions, vol. 174. Royal Society of Chemistry, pp. 79–89, 2014.
ista: Batra A, Meisner JS, Darancet P, Chen Q, Steigerwald ML, Nuckolls C, Venkataraman
L. 2014. Molecular diodes enabled by quantum interference. Faraday Discussions.
174, 79–89.
mla: Batra, Arunabh, et al. “Molecular Diodes Enabled by Quantum Interference.”
Faraday Discussions, vol. 174, Royal Society of Chemistry, 2014, pp. 79–89,
doi:10.1039/c4fd00093e.
short: A. Batra, J.S. Meisner, P. Darancet, Q. Chen, M.L. Steigerwald, C. Nuckolls,
L. Venkataraman, Faraday Discussions 174 (2014) 79–89.
date_created: 2024-09-09T11:04:25Z
date_published: 2014-06-17T00:00:00Z
date_updated: 2025-01-02T14:04:45Z
day: '17'
doi: 10.1039/c4fd00093e
extern: '1'
external_id:
pmid:
- '25268850'
fulldoi: https://doi.org/10.1039/c4fd00093e
intvolume: ' 174'
language:
- iso: eng
month: '06'
oa_version: None
page: 79-89
pmid: 1
publication: Faraday Discussions
publication_identifier:
eissn:
- 1364-5498
issn:
- 1359-6640
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Molecular diodes enabled by quantum interference
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 174
year: '2014'
...
---
OA_type: closed access
_id: '17983'
abstract:
- lang: eng
text: 'We have measured the single-molecule conductance of a family of oligothiophenes
comprising 1–6 thiophene moieties terminated with methyl-sulfide linkers using
the scanning tunneling microscope-based break-junction technique. We find an anomalous
behavior: the peak of the conductance histogram distribution does not follow a
clear exponential decay with increasing number of thiophene units in the chain.
The electronic properties of the materials were characterized by optical spectroscopy
and electrochemistry to gain an understanding of the factors affecting the conductance
of these molecules. We postulate that different conformers in the junction are
a contributing factor to the anomalous trend in the observed conductance as a
function of molecule length.'
article_processing_charge: No
article_type: original
author:
- first_name: Brian
full_name: Capozzi, Brian
last_name: Capozzi
- first_name: Emma J.
full_name: Dell, Emma J.
last_name: Dell
- first_name: Timothy C.
full_name: Berkelbach, Timothy C.
last_name: Berkelbach
- first_name: David R.
full_name: Reichman, David R.
last_name: Reichman
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
citation:
ama: Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM.
Length-dependent conductance of oligothiophenes. Journal of the American Chemical
Society. 2014;136(29):10486-10492. doi:10.1021/ja505277z
apa: Capozzi, B., Dell, E. J., Berkelbach, T. C., Reichman, D. R., Venkataraman,
L., & Campos, L. M. (2014). Length-dependent conductance of oligothiophenes.
Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja505277z
chicago: Capozzi, Brian, Emma J. Dell, Timothy C. Berkelbach, David R. Reichman,
Latha Venkataraman, and Luis M. Campos. “Length-Dependent Conductance of Oligothiophenes.”
Journal of the American Chemical Society. American Chemical Society, 2014.
https://doi.org/10.1021/ja505277z.
ieee: B. Capozzi, E. J. Dell, T. C. Berkelbach, D. R. Reichman, L. Venkataraman,
and L. M. Campos, “Length-dependent conductance of oligothiophenes,” Journal
of the American Chemical Society, vol. 136, no. 29. American Chemical Society,
pp. 10486–10492, 2014.
ista: Capozzi B, Dell EJ, Berkelbach TC, Reichman DR, Venkataraman L, Campos LM.
2014. Length-dependent conductance of oligothiophenes. Journal of the American
Chemical Society. 136(29), 10486–10492.
mla: Capozzi, Brian, et al. “Length-Dependent Conductance of Oligothiophenes.” Journal
of the American Chemical Society, vol. 136, no. 29, American Chemical Society,
2014, pp. 10486–92, doi:10.1021/ja505277z.
short: B. Capozzi, E.J. Dell, T.C. Berkelbach, D.R. Reichman, L. Venkataraman, L.M.
Campos, Journal of the American Chemical Society 136 (2014) 10486–10492.
date_created: 2024-09-09T11:06:46Z
date_published: 2014-07-08T00:00:00Z
date_updated: 2025-01-02T14:06:54Z
day: '08'
doi: 10.1021/ja505277z
extern: '1'
external_id:
pmid:
- '25003761'
fulldoi: https://doi.org/10.1021/ja505277z
intvolume: ' 136'
issue: '29'
language:
- iso: eng
month: '07'
oa_version: None
page: 10486-10492
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Length-dependent conductance of oligothiophenes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 136
year: '2014'
...
---
OA_type: closed access
_id: '17984'
abstract:
- lang: eng
text: A direct measurement of the potential energy surface that characterizes individual
chemical bonds in complex materials has fundamental significance for many disciplines.
Here, we demonstrate that the energy profile for metallic single-atom contacts
and single-molecule junctions can be mapped by fitting ambient atomic force microscope
measurements carried out in the near-equilibrium regime to a physical, but simple,
functional form. We extract bond energies for junctions formed through metallic
bonds as well as metal–molecule link bonds from atomic force microscope data and
find that our results are in excellent quantitative agreement with density functional
theory based calculations for exemplary junction structures. Furthermore, measurements
from a large number of junctions can be collapsed to a single, universal force–extension
curve, thus revealing a surprising degree of similarity in the overall shape of
the potential surface that governs these chemical bonds. Compared to previous
studies under ambient conditions where analysis was confined to trends in rupture
force, our approach significantly expands the quantitative information extracted
from these measurements, particularly allowing analysis of the trends in bond
energy directly.
article_processing_charge: No
article_type: original
author:
- first_name: Sriharsha V.
full_name: Aradhya, Sriharsha V.
last_name: Aradhya
- first_name: Aileen
full_name: Nielsen, Aileen
last_name: Nielsen
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. Quantitative bond energetics
in atomic-scale junctions. ACS Nano. 2014;8(7):7522-7530. doi:10.1021/nn502836e
apa: Aradhya, S. V., Nielsen, A., Hybertsen, M. S., & Venkataraman, L. (2014).
Quantitative bond energetics in atomic-scale junctions. ACS Nano. American
Chemical Society. https://doi.org/10.1021/nn502836e
chicago: Aradhya, Sriharsha V., Aileen Nielsen, Mark S. Hybertsen, and Latha Venkataraman.
“Quantitative Bond Energetics in Atomic-Scale Junctions.” ACS Nano. American
Chemical Society, 2014. https://doi.org/10.1021/nn502836e.
ieee: S. V. Aradhya, A. Nielsen, M. S. Hybertsen, and L. Venkataraman, “Quantitative
bond energetics in atomic-scale junctions,” ACS Nano, vol. 8, no. 7. American
Chemical Society, pp. 7522–7530, 2014.
ista: Aradhya SV, Nielsen A, Hybertsen MS, Venkataraman L. 2014. Quantitative bond
energetics in atomic-scale junctions. ACS Nano. 8(7), 7522–7530.
mla: Aradhya, Sriharsha V., et al. “Quantitative Bond Energetics in Atomic-Scale
Junctions.” ACS Nano, vol. 8, no. 7, American Chemical Society, 2014, pp.
7522–30, doi:10.1021/nn502836e.
short: S.V. Aradhya, A. Nielsen, M.S. Hybertsen, L. Venkataraman, ACS Nano 8 (2014)
7522–7530.
date_created: 2024-09-09T11:07:34Z
date_published: 2014-06-19T00:00:00Z
date_updated: 2025-01-02T14:08:57Z
day: '19'
doi: 10.1021/nn502836e
extern: '1'
external_id:
pmid:
- '24945851'
fulldoi: https://doi.org/10.1021/nn502836e
intvolume: ' 8'
issue: '7'
language:
- iso: eng
month: '06'
oa_version: None
page: 7522-7530
pmid: 1
publication: ACS Nano
publication_identifier:
eissn:
- 1936-086X
issn:
- 1936-0851
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Quantitative bond energetics in atomic-scale junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2014'
...
---
OA_place: repository
OA_type: green
_id: '17985'
abstract:
- lang: eng
text: We have designed and synthesized five azulene derivatives containing gold-binding
groups at different points of connectivity within the azulene core to probe the
effects of quantum interference through single-molecule conductance measurements.
We compare conducting paths through the 5-membered ring, 7-membered ring, and
across the long axis of azulene. We find that changing the points of connectivity
in the azulene impacts the optical properties (as determined from UV–vis absorption
spectra) and the conductivity. Importantly, we show here that simple models cannot
be used to predict quantum interference characteristics of nonalternant hydrocarbons.
As an exemplary case, we show that azulene derivatives that are predicted to exhibit
destructive interference based on widely accepted atom-counting models show a
significant conductance at low biases. Although simple models to predict the low-bias
conductance do not hold with all azulene derivatives, we demonstrate that the
measured conductance trend for all molecules studied actually agrees with predictions
based on the more complete GW calculations for model systems.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Jianlong
full_name: Xia, Jianlong
last_name: Xia
- first_name: Brian
full_name: Capozzi, Brian
last_name: Capozzi
- first_name: Sujun
full_name: Wei, Sujun
last_name: Wei
- first_name: Mikkel
full_name: Strange, Mikkel
last_name: Strange
- first_name: Arunabh
full_name: Batra, Arunabh
last_name: Batra
- first_name: Jose R.
full_name: Moreno, Jose R.
last_name: Moreno
- first_name: Roey J.
full_name: Amir, Roey J.
last_name: Amir
- first_name: Elizabeth
full_name: Amir, Elizabeth
last_name: Amir
- first_name: Gemma C.
full_name: Solomon, Gemma C.
last_name: Solomon
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
citation:
ama: Xia J, Capozzi B, Wei S, et al. Breakdown of interference rules in azulene,
a nonalternant hydrocarbon. Nano Letters. 2014;14(5):2941-2945. doi:10.1021/nl5010702
apa: Xia, J., Capozzi, B., Wei, S., Strange, M., Batra, A., Moreno, J. R., … Campos,
L. M. (2014). Breakdown of interference rules in azulene, a nonalternant hydrocarbon.
Nano Letters. American Chemical Society. https://doi.org/10.1021/nl5010702
chicago: Xia, Jianlong, Brian Capozzi, Sujun Wei, Mikkel Strange, Arunabh Batra,
Jose R. Moreno, Roey J. Amir, et al. “Breakdown of Interference Rules in Azulene,
a Nonalternant Hydrocarbon.” Nano Letters. American Chemical Society, 2014.
https://doi.org/10.1021/nl5010702.
ieee: J. Xia et al., “Breakdown of interference rules in azulene, a nonalternant
hydrocarbon,” Nano Letters, vol. 14, no. 5. American Chemical Society,
pp. 2941–2945, 2014.
ista: Xia J, Capozzi B, Wei S, Strange M, Batra A, Moreno JR, Amir RJ, Amir E, Solomon
GC, Venkataraman L, Campos LM. 2014. Breakdown of interference rules in azulene,
a nonalternant hydrocarbon. Nano Letters. 14(5), 2941–2945.
mla: Xia, Jianlong, et al. “Breakdown of Interference Rules in Azulene, a Nonalternant
Hydrocarbon.” Nano Letters, vol. 14, no. 5, American Chemical Society,
2014, pp. 2941–45, doi:10.1021/nl5010702.
short: J. Xia, B. Capozzi, S. Wei, M. Strange, A. Batra, J.R. Moreno, R.J. Amir,
E. Amir, G.C. Solomon, L. Venkataraman, L.M. Campos, Nano Letters 14 (2014) 2941–2945.
date_created: 2024-09-09T11:09:56Z
date_published: 2014-04-18T00:00:00Z
date_updated: 2025-01-02T14:11:49Z
day: '18'
doi: 10.1021/nl5010702
extern: '1'
external_id:
arxiv:
- '1411.5463'
pmid:
- '24745894'
fulldoi: https://doi.org/10.1021/nl5010702
intvolume: ' 14'
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1411.5463
month: '04'
oa: 1
oa_version: Preprint
page: 2941-2945
pmid: 1
publication: Nano Letters
publication_identifier:
eissn:
- 1530-6992
issn:
- 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Breakdown of interference rules in azulene, a nonalternant hydrocarbon
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2014'
...
---
OA_type: closed access
_id: '17986'
abstract:
- lang: eng
text: Molecular electronics demands complex functional molecules with multiple pathways
connecting electrode leads. We report the synthesis and study of a set of molecules
based on a fluorene-like design in which atomic connectors are used to introduce
two pathways for conductance. This manuscript details the structural demands and
underlying rationale for developing high conductance in these complex molecular
circuit components.
article_number: '1561'
article_processing_charge: No
article_type: original
author:
- first_name: R. S.
full_name: Klausen, R. S.
last_name: Klausen
- first_name: J. R.
full_name: Widawsky, J. R.
last_name: Widawsky
- first_name: T. A.
full_name: Su, T. A.
last_name: Su
- first_name: H.
full_name: Li, H.
last_name: Li
- first_name: Q.
full_name: Chen, Q.
last_name: Chen
- first_name: M. L.
full_name: Steigerwald, M. L.
last_name: Steigerwald
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: C.
full_name: Nuckolls, C.
last_name: Nuckolls
citation:
ama: Klausen RS, Widawsky JR, Su TA, et al. Evaluating atomic components in fluorene
wires. Chemical Science. 2014;5(4). doi:10.1039/c4sc00064a
apa: Klausen, R. S., Widawsky, J. R., Su, T. A., Li, H., Chen, Q., Steigerwald,
M. L., … Nuckolls, C. (2014). Evaluating atomic components in fluorene wires.
Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c4sc00064a
chicago: Klausen, R. S., J. R. Widawsky, T. A. Su, H. Li, Q. Chen, M. L. Steigerwald,
Latha Venkataraman, and C. Nuckolls. “Evaluating Atomic Components in Fluorene
Wires.” Chemical Science. Royal Society of Chemistry, 2014. https://doi.org/10.1039/c4sc00064a.
ieee: R. S. Klausen et al., “Evaluating atomic components in fluorene wires,”
Chemical Science, vol. 5, no. 4. Royal Society of Chemistry, 2014.
ista: Klausen RS, Widawsky JR, Su TA, Li H, Chen Q, Steigerwald ML, Venkataraman
L, Nuckolls C. 2014. Evaluating atomic components in fluorene wires. Chemical
Science. 5(4), 1561.
mla: Klausen, R. S., et al. “Evaluating Atomic Components in Fluorene Wires.” Chemical
Science, vol. 5, no. 4, 1561, Royal Society of Chemistry, 2014, doi:10.1039/c4sc00064a.
short: R.S. Klausen, J.R. Widawsky, T.A. Su, H. Li, Q. Chen, M.L. Steigerwald, L.
Venkataraman, C. Nuckolls, Chemical Science 5 (2014).
date_created: 2024-09-09T11:22:09Z
date_published: 2014-02-12T00:00:00Z
date_updated: 2025-01-02T14:13:40Z
day: '12'
doi: 10.1039/c4sc00064a
extern: '1'
fulldoi: https://doi.org/10.1039/c4sc00064a
intvolume: ' 5'
issue: '4'
language:
- iso: eng
month: '02'
oa_version: None
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Evaluating atomic components in fluorene wires
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 5
year: '2014'
...