---
_id: '17597'
abstract:
- lang: eng
text: Deep Neural Networks (DNNs) are powerful algorithms that have been proven
capable of extracting non-Gaussian information from weak lensing (WL) data sets.
Understanding which features in the data determine the output of these nested,
non-linear algorithms is an important but challenging task. We analyze a DNN that
has been found in previous work to accurately recover cosmological parameters
in simulated maps of the WL convergence (κ). We derive constraints on the cosmological
parameter pair (Ωm,σ8) from a combination of three commonly used WL statistics
(power spectrum, lensing peaks, and Minkowski functionals), using ray-traced simulated
κ maps. We show that the network can improve the inferred parameter constraints
relative to this combination by 20% even in the presence of realistic levels of
shape noise. We apply a series of well established saliency methods to interpret
the DNN and find that the most relevant pixels are those with extreme κ values.
For noiseless maps, regions with negative κ account for 86−69% of the attribution
of the DNN output, defined as the square of the saliency in input space. In the
presence of shape nose, the attribution concentrates in high convergence regions,
with 36−68% of the attribution in regions with κ>3σκ.
article_number: '123506'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: José Manuel Zorrilla
full_name: Matilla, José Manuel Zorrilla
last_name: Matilla
- first_name: Manasi
full_name: Sharma, Manasi
last_name: Sharma
- first_name: Daniel
full_name: Hsu, Daniel
last_name: Hsu
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: Matilla JMZ, Sharma M, Hsu D, Haiman Z. Interpreting deep learning models for
weak lensing. Physical Review D. 2020;102(12). doi:10.1103/physrevd.102.123506
apa: Matilla, J. M. Z., Sharma, M., Hsu, D., & Haiman, Z. (2020). Interpreting
deep learning models for weak lensing. Physical Review D. American Physical
Society. https://doi.org/10.1103/physrevd.102.123506
chicago: Matilla, José Manuel Zorrilla, Manasi Sharma, Daniel Hsu, and Zoltán Haiman.
“Interpreting Deep Learning Models for Weak Lensing.” Physical Review D.
American Physical Society, 2020. https://doi.org/10.1103/physrevd.102.123506.
ieee: J. M. Z. Matilla, M. Sharma, D. Hsu, and Z. Haiman, “Interpreting deep learning
models for weak lensing,” Physical Review D, vol. 102, no. 12. American
Physical Society, 2020.
ista: Matilla JMZ, Sharma M, Hsu D, Haiman Z. 2020. Interpreting deep learning models
for weak lensing. Physical Review D. 102(12), 123506.
mla: Matilla, José Manuel Zorrilla, et al. “Interpreting Deep Learning Models for
Weak Lensing.” Physical Review D, vol. 102, no. 12, 123506, American Physical
Society, 2020, doi:10.1103/physrevd.102.123506.
short: J.M.Z. Matilla, M. Sharma, D. Hsu, Z. Haiman, Physical Review D 102 (2020).
date_created: 2024-09-05T12:44:45Z
date_published: 2020-07-09T00:00:00Z
date_updated: 2024-09-23T13:04:36Z
day: '09'
doi: 10.1103/physrevd.102.123506
extern: '1'
external_id:
arxiv:
- '2007.06529'
intvolume: ' 102'
issue: '12'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.2007.06529'
month: '07'
oa: 1
oa_version: Preprint
publication: Physical Review D
publication_identifier:
issn:
- 2470-0010
- 2470-0029
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Interpreting deep learning models for weak lensing
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 102
year: '2020'
...
---
_id: '17600'
abstract:
- lang: eng
text: The quest for binary and dual supermassive black holes (SMBHs) at the dawn
of the multi-messenger era is compelling. Detecting dual active galactic nuclei
(AGN) – active SMBHs at projected separations larger than several parsecs – and
binary AGN – probing the scale where SMBHs are bound in a Keplerian binary – is
an observational challenge. The study of AGN pairs (either dual or binary) also
represents an overarching theoretical problem in cosmology and astrophysics. The
AGN triggering calls for detailed knowledge of the hydrodynamical conditions of
gas in the imminent surroundings of the SMBHs and, at the same time, their duality
calls for detailed knowledge on how galaxies assemble through major and minor
mergers and grow fed by matter along the filaments of the cosmic web. This review
describes the techniques used across the electromagnetic spectrum to detect dual
and binary AGN candidates and proposes new avenues for their search. The current
observational status is compared with the state-of-the-art numerical simulations
and models for formation of dual and binary AGN. Binary SMBHs are among the loudest
sources of gravitational waves (GWs) in the Universe. The search for a background
of GWs at nHz frequencies from inspiralling SMBHs at low redshifts, and the direct
detection of signals from their coalescence by the Laser Interferometer Space
Antenna in the next decade, make this a theme of major interest for multi-messenger
astrophysics. This review discusses the future facilities and observational strategies
that are likely to significantly advance this fascinating field.
article_number: '101525'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Alessandra
full_name: De Rosa, Alessandra
last_name: De Rosa
- first_name: Cristian
full_name: Vignali, Cristian
last_name: Vignali
- first_name: Tamara
full_name: Bogdanović, Tamara
last_name: Bogdanović
- first_name: Pedro R.
full_name: Capelo, Pedro R.
last_name: Capelo
- first_name: Maria
full_name: Charisi, Maria
last_name: Charisi
- first_name: Massimo
full_name: Dotti, Massimo
last_name: Dotti
- first_name: Bernd
full_name: Husemann, Bernd
last_name: Husemann
- first_name: Elisabeta
full_name: Lusso, Elisabeta
last_name: Lusso
- first_name: Lucio
full_name: Mayer, Lucio
last_name: Mayer
- first_name: Zsolt
full_name: Paragi, Zsolt
last_name: Paragi
- first_name: Jessie
full_name: Runnoe, Jessie
last_name: Runnoe
- first_name: Alberto
full_name: Sesana, Alberto
last_name: Sesana
- first_name: Lisa
full_name: Steinborn, Lisa
last_name: Steinborn
- first_name: Stefano
full_name: Bianchi, Stefano
last_name: Bianchi
- first_name: Monica
full_name: Colpi, Monica
last_name: Colpi
- first_name: Luciano
full_name: del Valle, Luciano
last_name: del Valle
- first_name: Sándor
full_name: Frey, Sándor
last_name: Frey
- first_name: Krisztina É.
full_name: Gabányi, Krisztina É.
last_name: Gabányi
- first_name: Margherita
full_name: Giustini, Margherita
last_name: Giustini
- first_name: Matteo
full_name: Guainazzi, Matteo
last_name: Guainazzi
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Noelia
full_name: Herrera Ruiz, Noelia
last_name: Herrera Ruiz
- first_name: Rubén
full_name: Herrero-Illana, Rubén
last_name: Herrero-Illana
- first_name: Kazushi
full_name: Iwasawa, Kazushi
last_name: Iwasawa
- first_name: S.
full_name: Komossa, S.
last_name: Komossa
- first_name: Davide
full_name: Lena, Davide
last_name: Lena
- first_name: Nora
full_name: Loiseau, Nora
last_name: Loiseau
- first_name: Miguel
full_name: Perez-Torres, Miguel
last_name: Perez-Torres
- first_name: Enrico
full_name: Piconcelli, Enrico
last_name: Piconcelli
- first_name: Marta
full_name: Volonteri, Marta
last_name: Volonteri
citation:
ama: 'De Rosa A, Vignali C, Bogdanović T, et al. The quest for dual and binary supermassive
black holes: A multi-messenger view. New Astronomy Reviews. 2020;86. doi:10.1016/j.newar.2020.101525'
apa: 'De Rosa, A., Vignali, C., Bogdanović, T., Capelo, P. R., Charisi, M., Dotti,
M., … Volonteri, M. (2020). The quest for dual and binary supermassive black holes:
A multi-messenger view. New Astronomy Reviews. Elsevier BV. https://doi.org/10.1016/j.newar.2020.101525'
chicago: 'De Rosa, Alessandra, Cristian Vignali, Tamara Bogdanović, Pedro R. Capelo,
Maria Charisi, Massimo Dotti, Bernd Husemann, et al. “The Quest for Dual and Binary
Supermassive Black Holes: A Multi-Messenger View.” New Astronomy Reviews.
Elsevier BV, 2020. https://doi.org/10.1016/j.newar.2020.101525.'
ieee: 'A. De Rosa et al., “The quest for dual and binary supermassive black
holes: A multi-messenger view,” New Astronomy Reviews, vol. 86. Elsevier
BV, 2020.'
ista: 'De Rosa A, Vignali C, Bogdanović T, Capelo PR, Charisi M, Dotti M, Husemann
B, Lusso E, Mayer L, Paragi Z, Runnoe J, Sesana A, Steinborn L, Bianchi S, Colpi
M, del Valle L, Frey S, Gabányi KÉ, Giustini M, Guainazzi M, Haiman Z, Herrera
Ruiz N, Herrero-Illana R, Iwasawa K, Komossa S, Lena D, Loiseau N, Perez-Torres
M, Piconcelli E, Volonteri M. 2020. The quest for dual and binary supermassive
black holes: A multi-messenger view. New Astronomy Reviews. 86, 101525.'
mla: 'De Rosa, Alessandra, et al. “The Quest for Dual and Binary Supermassive Black
Holes: A Multi-Messenger View.” New Astronomy Reviews, vol. 86, 101525,
Elsevier BV, 2020, doi:10.1016/j.newar.2020.101525.'
short: A. De Rosa, C. Vignali, T. Bogdanović, P.R. Capelo, M. Charisi, M. Dotti,
B. Husemann, E. Lusso, L. Mayer, Z. Paragi, J. Runnoe, A. Sesana, L. Steinborn,
S. Bianchi, M. Colpi, L. del Valle, S. Frey, K.É. Gabányi, M. Giustini, M. Guainazzi,
Z. Haiman, N. Herrera Ruiz, R. Herrero-Illana, K. Iwasawa, S. Komossa, D. Lena,
N. Loiseau, M. Perez-Torres, E. Piconcelli, M. Volonteri, New Astronomy Reviews
86 (2020).
date_created: 2024-09-05T13:07:32Z
date_published: 2020-01-17T00:00:00Z
date_updated: 2024-09-23T13:34:58Z
day: '17'
doi: 10.1016/j.newar.2020.101525
extern: '1'
external_id:
arxiv:
- '2001.06293'
intvolume: ' 86'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.2001.06293'
month: '01'
oa: 1
oa_version: Preprint
publication: New Astronomy Reviews
publication_identifier:
issn:
- 1387-6473
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'The quest for dual and binary supermassive black holes: A multi-messenger
view'
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 86
year: '2020'
...
---
_id: '17601'
abstract:
- lang: eng
text: Using numerical hydrodynamics calculations and a novel method for densely
sampling parameter space, we measure the accretion and torque on a binary system
from a circumbinary disk. In agreement with some earlier studies, we find that
the net torque on the binary is positive for mass ratios close to unity, and that
accretion always drives the binary toward equal mass. Accretion variability depends
sensitively on the numerical sink prescription, but the torque and relative accretion
onto each component do not depend on the sink timescale. Positive torque and highly
variable accretion occurs only for mass ratios greater than around 0.05. This
means that for mass ratios below 0.05, the binary would migrate inward until the
secondary accreted sufficient mass, after which it would execute a U-turn and
migrate outward. We explore a range of viscosities, from α = 0.03 to α = 0.15,
and find that this outward torque is proportional to the viscous torque, so that
torque per unit accreted mass is independent of α. Dependence of accretion and
torque on mass ratio is explored in detail, densely sampling mass ratios between
0.01 and unity. For mass ratio q > 0.2, accretion variability is found to exhibit
a distinct sawtooth pattern, typically with a five-orbit cycle that provides a
smoking gun prediction for variable quasars observed over long periods, as a potential
means to confirm the presence of a binary.
article_number: '25'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Paul C.
full_name: Duffell, Paul C.
last_name: Duffell
- first_name: Daniel
full_name: D’Orazio, Daniel
last_name: D’Orazio
- first_name: Andrea
full_name: Derdzinski, Andrea
last_name: Derdzinski
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: Andrew
full_name: MacFadyen, Andrew
last_name: MacFadyen
- first_name: Anna L.
full_name: Rosen, Anna L.
last_name: Rosen
- first_name: Jonathan
full_name: Zrake, Jonathan
last_name: Zrake
citation:
ama: 'Duffell PC, D’Orazio D, Derdzinski A, et al. Circumbinary disks: Accretion
and torque as a function of mass ratio and disk viscosity. The Astrophysical
Journal. 2020;901(1). doi:10.3847/1538-4357/abab95'
apa: 'Duffell, P. C., D’Orazio, D., Derdzinski, A., Haiman, Z., MacFadyen, A., Rosen,
A. L., & Zrake, J. (2020). Circumbinary disks: Accretion and torque as a function
of mass ratio and disk viscosity. The Astrophysical Journal. American Astronomical
Society. https://doi.org/10.3847/1538-4357/abab95'
chicago: 'Duffell, Paul C., Daniel D’Orazio, Andrea Derdzinski, Zoltán Haiman, Andrew
MacFadyen, Anna L. Rosen, and Jonathan Zrake. “Circumbinary Disks: Accretion and
Torque as a Function of Mass Ratio and Disk Viscosity.” The Astrophysical Journal.
American Astronomical Society, 2020. https://doi.org/10.3847/1538-4357/abab95.'
ieee: 'P. C. Duffell et al., “Circumbinary disks: Accretion and torque as
a function of mass ratio and disk viscosity,” The Astrophysical Journal,
vol. 901, no. 1. American Astronomical Society, 2020.'
ista: 'Duffell PC, D’Orazio D, Derdzinski A, Haiman Z, MacFadyen A, Rosen AL, Zrake
J. 2020. Circumbinary disks: Accretion and torque as a function of mass ratio
and disk viscosity. The Astrophysical Journal. 901(1), 25.'
mla: 'Duffell, Paul C., et al. “Circumbinary Disks: Accretion and Torque as a Function
of Mass Ratio and Disk Viscosity.” The Astrophysical Journal, vol. 901,
no. 1, 25, American Astronomical Society, 2020, doi:10.3847/1538-4357/abab95.'
short: P.C. Duffell, D. D’Orazio, A. Derdzinski, Z. Haiman, A. MacFadyen, A.L. Rosen,
J. Zrake, The Astrophysical Journal 901 (2020).
date_created: 2024-09-05T13:08:20Z
date_published: 2020-09-17T00:00:00Z
date_updated: 2024-09-23T13:39:03Z
day: '17'
doi: 10.3847/1538-4357/abab95
extern: '1'
external_id:
arxiv:
- '1911.05506'
intvolume: ' 901'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.1911.05506'
month: '09'
oa: 1
oa_version: Preprint
publication: The Astrophysical Journal
publication_identifier:
issn:
- 0004-637X
- 1538-4357
publication_status: published
publisher: American Astronomical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Circumbinary disks: Accretion and torque as a function of mass ratio and disk
viscosity'
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 901
year: '2020'
...
---
_id: '17604'
abstract:
- lang: eng
text: 'Numerical studies of gas accretion onto supermassive black hole binaries
(SMBHBs) have generally been limited to conditions where the circumbinary disk
(CBD) is 10-100 times thicker than expected for disks in active galactic nuclei
(AGN). This discrepancy arises from technical limitations, and also from publication
bias toward replicating fiducial numerical models. Here we present the first systematic
study of how the binary''s orbital evolution varies with disk scale height. We
report three key results: (1) Binary orbital evolution switches from outspiralling
for warm disks (aspect ratio ~0.1), to inspiralling for more realistic cooler,
thinner disks at a critical aspect ratio ~0.04, corresponding to orbital Mach
number ~25. (2) The net torque on the binary arises from a competition between
positive torque from gas orbiting close to the black holes, and negative torque
from the inner edge of the CBD, which is denser for thinner disks. This leads
to increasingly negative net torques on the binary for increasingly thin disks.
(3) The accretion rate is modestly suppressed with increasing Mach number. We
discuss how our results may influence modeling of the nano-Hz gravitational wave
background, as well as estimates of the LISA merger event rate.'
article_number: '43'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Christopher
full_name: Tiede, Christopher
last_name: Tiede
- first_name: Jonathan
full_name: Zrake, Jonathan
last_name: Zrake
- first_name: Andrew
full_name: MacFadyen, Andrew
last_name: MacFadyen
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
citation:
ama: Tiede C, Zrake J, MacFadyen A, Haiman Z. Gas-driven inspiral of binaries in
thin accretion disks. The Astrophysical Journal. 2020;900(1). doi:10.3847/1538-4357/aba432
apa: Tiede, C., Zrake, J., MacFadyen, A., & Haiman, Z. (2020). Gas-driven inspiral
of binaries in thin accretion disks. The Astrophysical Journal. American
Astronomical Society. https://doi.org/10.3847/1538-4357/aba432
chicago: Tiede, Christopher, Jonathan Zrake, Andrew MacFadyen, and Zoltán Haiman.
“Gas-Driven Inspiral of Binaries in Thin Accretion Disks.” The Astrophysical
Journal. American Astronomical Society, 2020. https://doi.org/10.3847/1538-4357/aba432.
ieee: C. Tiede, J. Zrake, A. MacFadyen, and Z. Haiman, “Gas-driven inspiral of binaries
in thin accretion disks,” The Astrophysical Journal, vol. 900, no. 1. American
Astronomical Society, 2020.
ista: Tiede C, Zrake J, MacFadyen A, Haiman Z. 2020. Gas-driven inspiral of binaries
in thin accretion disks. The Astrophysical Journal. 900(1), 43.
mla: Tiede, Christopher, et al. “Gas-Driven Inspiral of Binaries in Thin Accretion
Disks.” The Astrophysical Journal, vol. 900, no. 1, 43, American Astronomical
Society, 2020, doi:10.3847/1538-4357/aba432.
short: C. Tiede, J. Zrake, A. MacFadyen, Z. Haiman, The Astrophysical Journal 900
(2020).
date_created: 2024-09-05T13:12:20Z
date_published: 2020-08-28T00:00:00Z
date_updated: 2024-09-23T13:59:30Z
day: '28'
doi: 10.3847/1538-4357/aba432
extern: '1'
external_id:
arxiv:
- '2005.09555'
intvolume: ' 900'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.2005.09555'
month: '08'
oa: 1
oa_version: Preprint
publication: The Astrophysical Journal
publication_identifier:
issn:
- 0004-637X
- 1538-4357
publication_status: published
publisher: American Astronomical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Gas-driven inspiral of binaries in thin accretion disks
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 900
year: '2020'
...
---
_id: '17605'
abstract:
- lang: eng
text: Despite the rapidly growing number of stellar-mass binary black hole mergers
discovered through gravitational waves, the origin of these binaries is still
not known. In galactic centers, black holes can be brought to each others' proximity
by dynamical processes, resulting in mergers. It is also possible that black holes
formed in previous mergers encounter new black holes, resulting in so-called hierarchical
mergers. Hierarchical events carry signatures such as higher-than-usual black
hole mass and spin. Here we show that the recently reported gravitational-wave
candidate, GW170817A, could be the result of such a hierarchical merger. In particular,
its chirp mass ∼40 M⊙ and effective spin of χeff ∼ 0.5 are the typically expected
values from hierarchical mergers within the disks of active galactic nuclei. We
find that the reconstructed parameters of GW170817A strongly favor a hierarchical
merger origin over having been produced by an isolated binary origin (with an
odds ratio of > 10^3).
article_number: L20
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: V.
full_name: Gayathri, V.
last_name: Gayathri
- first_name: I.
full_name: Bartos, I.
last_name: Bartos
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: S.
full_name: Klimenko, S.
last_name: Klimenko
- first_name: B.
full_name: Kocsis, B.
last_name: Kocsis
- first_name: S.
full_name: Márka, S.
last_name: Márka
- first_name: Y.
full_name: Yang, Y.
last_name: Yang
citation:
ama: Gayathri V, Bartos I, Haiman Z, et al. GW170817A as a hierarchical black hole
merger. The Astrophysical Journal Letters. 2020;890(2). doi:10.3847/2041-8213/ab745d
apa: Gayathri, V., Bartos, I., Haiman, Z., Klimenko, S., Kocsis, B., Márka, S.,
& Yang, Y. (2020). GW170817A as a hierarchical black hole merger. The Astrophysical
Journal Letters. American Astronomical Society. https://doi.org/10.3847/2041-8213/ab745d
chicago: Gayathri, V., I. Bartos, Zoltán Haiman, S. Klimenko, B. Kocsis, S. Márka,
and Y. Yang. “GW170817A as a Hierarchical Black Hole Merger.” The Astrophysical
Journal Letters. American Astronomical Society, 2020. https://doi.org/10.3847/2041-8213/ab745d.
ieee: V. Gayathri et al., “GW170817A as a hierarchical black hole merger,”
The Astrophysical Journal Letters, vol. 890, no. 2. American Astronomical
Society, 2020.
ista: Gayathri V, Bartos I, Haiman Z, Klimenko S, Kocsis B, Márka S, Yang Y. 2020.
GW170817A as a hierarchical black hole merger. The Astrophysical Journal Letters.
890(2), L20.
mla: Gayathri, V., et al. “GW170817A as a Hierarchical Black Hole Merger.” The
Astrophysical Journal Letters, vol. 890, no. 2, L20, American Astronomical
Society, 2020, doi:10.3847/2041-8213/ab745d.
short: V. Gayathri, I. Bartos, Z. Haiman, S. Klimenko, B. Kocsis, S. Márka, Y. Yang,
The Astrophysical Journal Letters 890 (2020).
date_created: 2024-09-05T13:13:33Z
date_published: 2020-02-18T00:00:00Z
date_updated: 2024-09-23T14:04:29Z
day: '18'
doi: 10.3847/2041-8213/ab745d
extern: '1'
external_id:
arxiv:
- '1911.11142'
intvolume: ' 890'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.1911.11142'
month: '02'
oa: 1
oa_version: Preprint
publication: The Astrophysical Journal Letters
publication_identifier:
issn:
- 2041-8205
- 2041-8213
publication_status: published
publisher: American Astronomical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: GW170817A as a hierarchical black hole merger
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 890
year: '2020'
...
---
_id: '17607'
abstract:
- lang: eng
text: The heaviest neutron stars and lightest black holes expected to be produced
by stellar evolution leave the mass-range 2.2 M⊙≲m≲5 M⊙ largely unpopulated. Objects
found in this so-called lower mass gap likely originate from a distinct astrophysical
process. Such an object, with mass 2.6 M⊙ was recently detected in the binary
merger GW190814 through gravitational waves by LIGO/Virgo. Here we show that black
holes in the mass gap are naturally assembled through mergers and accretion in
AGN disks, and can subsequently participate in additional mergers. We compute
the properties of AGN-assisted mergers involving neutron stars and black holes,
accounting for accretion. We find that mergers in which one of the objects is
in the lower mass gap represent up to 4% of AGN-assisted mergers detectable by
LIGO/Virgo. The lighter object of GW190814, with mass 2.6 M⊙, could have grown
in an AGN disk through accretion. We find that the unexpectedly high total mass
of 3.4 M⊙ observed in the neutron star merger GW190425 may also be due to accretion
in an AGN disk.
article_number: L34
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Y.
full_name: Yang, Y.
last_name: Yang
- first_name: V.
full_name: Gayathri, V.
last_name: Gayathri
- first_name: I.
full_name: Bartos, I.
last_name: Bartos
- first_name: Zoltán
full_name: Haiman, Zoltán
id: 7c006e8c-cc0d-11ee-8322-cb904ef76f36
last_name: Haiman
- first_name: M.
full_name: Safarzadeh, M.
last_name: Safarzadeh
- first_name: H.
full_name: Tagawa, H.
last_name: Tagawa
citation:
ama: Yang Y, Gayathri V, Bartos I, Haiman Z, Safarzadeh M, Tagawa H. Black hole
formation in the lower mass gap through mergers and accretion in AGN disks. The
Astrophysical Journal Letters. 2020;901(2). doi:10.3847/2041-8213/abb940
apa: Yang, Y., Gayathri, V., Bartos, I., Haiman, Z., Safarzadeh, M., & Tagawa,
H. (2020). Black hole formation in the lower mass gap through mergers and accretion
in AGN disks. The Astrophysical Journal Letters. American Astronomical
Society. https://doi.org/10.3847/2041-8213/abb940
chicago: Yang, Y., V. Gayathri, I. Bartos, Zoltán Haiman, M. Safarzadeh, and H.
Tagawa. “Black Hole Formation in the Lower Mass Gap through Mergers and Accretion
in AGN Disks.” The Astrophysical Journal Letters. American Astronomical
Society, 2020. https://doi.org/10.3847/2041-8213/abb940.
ieee: Y. Yang, V. Gayathri, I. Bartos, Z. Haiman, M. Safarzadeh, and H. Tagawa,
“Black hole formation in the lower mass gap through mergers and accretion in AGN
disks,” The Astrophysical Journal Letters, vol. 901, no. 2. American Astronomical
Society, 2020.
ista: Yang Y, Gayathri V, Bartos I, Haiman Z, Safarzadeh M, Tagawa H. 2020. Black
hole formation in the lower mass gap through mergers and accretion in AGN disks.
The Astrophysical Journal Letters. 901(2), L34.
mla: Yang, Y., et al. “Black Hole Formation in the Lower Mass Gap through Mergers
and Accretion in AGN Disks.” The Astrophysical Journal Letters, vol. 901,
no. 2, L34, American Astronomical Society, 2020, doi:10.3847/2041-8213/abb940.
short: Y. Yang, V. Gayathri, I. Bartos, Z. Haiman, M. Safarzadeh, H. Tagawa, The
Astrophysical Journal Letters 901 (2020).
date_created: 2024-09-05T13:15:59Z
date_published: 2020-10-01T00:00:00Z
date_updated: 2024-09-23T14:16:49Z
day: '01'
doi: 10.3847/2041-8213/abb940
extern: '1'
external_id:
arxiv:
- '2007.04781'
intvolume: ' 901'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.2007.04781'
month: '10'
oa: 1
oa_version: Preprint
publication: The Astrophysical Journal Letters
publication_identifier:
issn:
- 2041-8205
- 2041-8213
publication_status: published
publisher: American Astronomical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Black hole formation in the lower mass gap through mergers and accretion in
AGN disks
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 901
year: '2020'
...
---
_id: '177'
abstract:
- lang: eng
text: We develop a geometric version of the circle method and use it to compute
the compactly supported cohomology of the space of rational curves through a point
on a smooth affine hypersurface of sufficiently low degree.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Timothy D
full_name: Browning, Timothy D
id: 35827D50-F248-11E8-B48F-1D18A9856A87
last_name: Browning
orcid: 0000-0002-8314-0177
- first_name: Will
full_name: Sawin, Will
last_name: Sawin
citation:
ama: Browning TD, Sawin W. A geometric version of the circle method. Annals of
Mathematics. 2020;191(3):893-948. doi:10.4007/annals.2020.191.3.4
apa: Browning, T. D., & Sawin, W. (2020). A geometric version of the circle
method. Annals of Mathematics. Princeton University. https://doi.org/10.4007/annals.2020.191.3.4
chicago: Browning, Timothy D, and Will Sawin. “A Geometric Version of the Circle
Method.” Annals of Mathematics. Princeton University, 2020. https://doi.org/10.4007/annals.2020.191.3.4.
ieee: T. D. Browning and W. Sawin, “A geometric version of the circle method,” Annals
of Mathematics, vol. 191, no. 3. Princeton University, pp. 893–948, 2020.
ista: Browning TD, Sawin W. 2020. A geometric version of the circle method. Annals
of Mathematics. 191(3), 893–948.
mla: Browning, Timothy D., and Will Sawin. “A Geometric Version of the Circle Method.”
Annals of Mathematics, vol. 191, no. 3, Princeton University, 2020, pp.
893–948, doi:10.4007/annals.2020.191.3.4.
short: T.D. Browning, W. Sawin, Annals of Mathematics 191 (2020) 893–948.
date_created: 2018-12-11T11:45:02Z
date_published: 2020-05-01T00:00:00Z
date_updated: 2024-10-21T06:02:25Z
day: '01'
department:
- _id: TiBr
doi: 10.4007/annals.2020.191.3.4
external_id:
arxiv:
- '1711.10451'
isi:
- '000526986300004'
intvolume: ' 191'
isi: 1
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1711.10451
month: '05'
oa: 1
oa_version: Preprint
page: 893-948
publication: Annals of Mathematics
publication_status: published
publisher: Princeton University
publist_id: '7744'
quality_controlled: '1'
scopus_import: '1'
status: public
title: A geometric version of the circle method
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 191
year: '2020'
...
---
_id: '179'
abstract:
- lang: eng
text: An asymptotic formula is established for the number of rational points of
bounded anticanonical height which lie on a certain Zariski dense subset of the
biprojective hypersurface x1y21+⋯+x4y24=0 in ℙ3×ℙ3. This confirms the modified
Manin conjecture for this variety, in which the removal of a thin set of rational
points is allowed.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Timothy D
full_name: Browning, Timothy D
id: 35827D50-F248-11E8-B48F-1D18A9856A87
last_name: Browning
orcid: 0000-0002-8314-0177
- first_name: Roger
full_name: Heath Brown, Roger
last_name: Heath Brown
citation:
ama: Browning TD, Heath Brown R. Density of rational points on a quadric bundle
in ℙ3×ℙ3. Duke Mathematical Journal. 2020;169(16):3099-3165. doi:10.1215/00127094-2020-0031
apa: Browning, T. D., & Heath Brown, R. (2020). Density of rational points on
a quadric bundle in ℙ3×ℙ3. Duke Mathematical Journal. Duke University Press.
https://doi.org/10.1215/00127094-2020-0031
chicago: Browning, Timothy D, and Roger Heath Brown. “Density of Rational Points
on a Quadric Bundle in ℙ3×ℙ3.” Duke Mathematical Journal. Duke University
Press, 2020. https://doi.org/10.1215/00127094-2020-0031.
ieee: T. D. Browning and R. Heath Brown, “Density of rational points on a quadric
bundle in ℙ3×ℙ3,” Duke Mathematical Journal, vol. 169, no. 16. Duke University
Press, pp. 3099–3165, 2020.
ista: Browning TD, Heath Brown R. 2020. Density of rational points on a quadric
bundle in ℙ3×ℙ3. Duke Mathematical Journal. 169(16), 3099–3165.
mla: Browning, Timothy D., and Roger Heath Brown. “Density of Rational Points on
a Quadric Bundle in ℙ3×ℙ3.” Duke Mathematical Journal, vol. 169, no. 16,
Duke University Press, 2020, pp. 3099–165, doi:10.1215/00127094-2020-0031.
short: T.D. Browning, R. Heath Brown, Duke Mathematical Journal 169 (2020) 3099–3165.
date_created: 2018-12-11T11:45:02Z
date_published: 2020-09-10T00:00:00Z
date_updated: 2024-10-21T06:02:33Z
day: '10'
department:
- _id: TiBr
doi: 10.1215/00127094-2020-0031
external_id:
arxiv:
- '1805.10715'
isi:
- '000582676300002'
intvolume: ' 169'
isi: 1
issue: '16'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1805.10715
month: '09'
oa: 1
oa_version: Preprint
page: 3099-3165
publication: Duke Mathematical Journal
publication_identifier:
issn:
- 0012-7094
publication_status: published
publisher: Duke University Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: Density of rational points on a quadric bundle in ℙ3×ℙ3
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 169
year: '2020'
...
---
OA_type: closed access
_id: '17902'
abstract:
- lang: eng
text: Probing structural changes of a molecule induced by charge transfer is important
for understanding the physicochemical properties of molecules and developing new
electronic devices. Here, we interrogate the structural changes of a single diketopyrrolopyrrole
(DPP) molecule induced by charge transport at a high bias using scanning tunneling
microscope break junction (STM-BJ) techniques. Specifically, we demonstrate that
application of a high bias increases the average nonresonant conductance of single
Au–DPP–Au junctions. We infer from the increased conductance that resonant charge
transport induces planarization of the molecular backbone. We further show that
this conformational planarization is assisted by thermally activated junction
reorganization. The planarization only occurs under specific electronic conditions,
which we rationalize by ab initio calculations. These results emphasize the need
for a comprehensive view of single-molecule junctions which includes both the
electronic properties and structure of the molecules and the electrodes when designing
electrically driven single-molecule motors.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Yaping
full_name: Zang, Yaping
last_name: Zang
- first_name: E-Dean
full_name: Fung, E-Dean
last_name: Fung
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Suman
full_name: Ray, Suman
last_name: Ray
- first_name: Marc H.
full_name: Garner, Marc H.
last_name: Garner
- first_name: Anders
full_name: Borges, Anders
last_name: Borges
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Satish
full_name: Patil, Satish
last_name: Patil
- first_name: Gemma
full_name: Solomon, Gemma
last_name: Solomon
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Zang Y, Fung E-D, Fu T, et al. Voltage-induced single-molecule junction planarization.
Nano Letters. 2020;21(1):673-679. doi:10.1021/acs.nanolett.0c04260
apa: Zang, Y., Fung, E.-D., Fu, T., Ray, S., Garner, M. H., Borges, A., … Venkataraman,
L. (2020). Voltage-induced single-molecule junction planarization. Nano Letters.
American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c04260
chicago: Zang, Yaping, E-Dean Fung, Tianren Fu, Suman Ray, Marc H. Garner, Anders
Borges, Michael L. Steigerwald, Satish Patil, Gemma Solomon, and Latha Venkataraman.
“Voltage-Induced Single-Molecule Junction Planarization.” Nano Letters.
American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c04260.
ieee: Y. Zang et al., “Voltage-induced single-molecule junction planarization,”
Nano Letters, vol. 21, no. 1. American Chemical Society, pp. 673–679, 2020.
ista: Zang Y, Fung E-D, Fu T, Ray S, Garner MH, Borges A, Steigerwald ML, Patil
S, Solomon G, Venkataraman L. 2020. Voltage-induced single-molecule junction planarization.
Nano Letters. 21(1), 673–679.
mla: Zang, Yaping, et al. “Voltage-Induced Single-Molecule Junction Planarization.”
Nano Letters, vol. 21, no. 1, American Chemical Society, 2020, pp. 673–79,
doi:10.1021/acs.nanolett.0c04260.
short: Y. Zang, E.-D. Fung, T. Fu, S. Ray, M.H. Garner, A. Borges, M.L. Steigerwald,
S. Patil, G. Solomon, L. Venkataraman, Nano Letters 21 (2020) 673–679.
date_created: 2024-09-09T06:48:30Z
date_published: 2020-12-18T00:00:00Z
date_updated: 2024-12-10T10:26:22Z
day: '18'
doi: 10.1021/acs.nanolett.0c04260
extern: '1'
external_id:
pmid:
- '33337876'
intvolume: ' 21'
issue: '1'
language:
- iso: eng
month: '12'
oa_version: None
page: 673-679
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: Voltage-induced single-molecule junction planarization
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 21
year: '2020'
...
---
OA_type: closed access
_id: '17903'
abstract:
- lang: eng
text: Light emission from tunnel junctions are a potential photon source for nanophotonic
applications. Surprisingly, the photons emitted can have energies exceeding the
energy supplied to the electrons by the bias. Three mechanisms for generating
these so-called overbias photons have been proposed, but the relationship between
these mechanisms has not been clarified. In this work, we argue that multielectron
processes provide the best framework for understanding overbias light emission
in tunnel junctions. Experimentally, we demonstrate for the first time that the
superlinear dependence of emission on conductance predicted by this theory is
robust to the temperature of the tunnel junction, indicating that tunnel junctions
are a promising candidate for electrically driven broadband photon sources.
article_processing_charge: No
article_type: letter_note
author:
- first_name: E-Dean
full_name: Fung, E-Dean
last_name: Fung
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: 'Fung E-D, Venkataraman L. Too cool for blackbody radiation: Overbias photon
emission in ambient STM due to multielectron processes. Nano Letters. 2020;20(12):8912-8918.
doi:10.1021/acs.nanolett.0c03994'
apa: 'Fung, E.-D., & Venkataraman, L. (2020). Too cool for blackbody radiation:
Overbias photon emission in ambient STM due to multielectron processes. Nano
Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03994'
chicago: 'Fung, E-Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation:
Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano
Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c03994.'
ieee: 'E.-D. Fung and L. Venkataraman, “Too cool for blackbody radiation: Overbias
photon emission in ambient STM due to multielectron processes,” Nano Letters,
vol. 20, no. 12. American Chemical Society, pp. 8912–8918, 2020.'
ista: 'Fung E-D, Venkataraman L. 2020. Too cool for blackbody radiation: Overbias
photon emission in ambient STM due to multielectron processes. Nano Letters. 20(12),
8912–8918.'
mla: 'Fung, E. Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation:
Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano
Letters, vol. 20, no. 12, American Chemical Society, 2020, pp. 8912–18, doi:10.1021/acs.nanolett.0c03994.'
short: E.-D. Fung, L. Venkataraman, Nano Letters 20 (2020) 8912–8918.
date_created: 2024-09-09T07:12:19Z
date_published: 2020-11-18T00:00:00Z
date_updated: 2024-12-10T10:28:52Z
day: '18'
doi: 10.1021/acs.nanolett.0c03994
extern: '1'
external_id:
pmid:
- '33206534'
intvolume: ' 20'
issue: '12'
language:
- iso: eng
month: '11'
oa_version: None
page: 8912-8918
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: 'Too cool for blackbody radiation: Overbias photon emission in ambient STM
due to multielectron processes'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 20
year: '2020'
...
---
OA_type: closed access
_id: '17904'
abstract:
- lang: eng
text: The creation of stable molecular monolayers on metallic surfaces is a fundamental
challenge of surface chemistry. N-Heterocyclic carbenes (NHCs) were recently shown
to form self-assembled monolayers that are significantly more stable than the
traditional thiols on Au system. Here we theoretically and experimentally demonstrate
that the smallest cyclic carbene, cyclopropenylidene, binds even more strongly
than NHCs to Au surfaces without altering the surface structure. We deposit bis(diisopropylamino)cyclopropenylidene
(BAC) on Au(111) using the molecular adduct BAC–CO2 as a precursor and determine
the structure, geometry, and behavior of the surface-bound molecules through high-resolution
X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling
microscopy. Our experiments are supported by density functional theory calculations
of the molecular binding energy of BAC on Au(111) and its electronic structure.
Our work is the first demonstration of surface modification with a stable carbene
other than NHC; more broadly, it drives further exploration of various carbenes
on metal surfaces.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Evan A.
full_name: Doud, Evan A.
last_name: Doud
- first_name: Rachel L.
full_name: Starr, Rachel L.
last_name: Starr
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Anastasia
full_name: Voevodin, Anastasia
last_name: Voevodin
- first_name: Enrique
full_name: Montes, Enrique
last_name: Montes
- first_name: Narendra P.
full_name: Arasu, Narendra P.
last_name: Arasu
- first_name: Yaping
full_name: Zang, Yaping
last_name: Zang
- first_name: Percy
full_name: Zahl, Percy
last_name: Zahl
- 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
- first_name: Héctor
full_name: Vázquez, Héctor
last_name: Vázquez
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
citation:
ama: Doud EA, Starr RL, Kladnik G, et al. Cyclopropenylidenes as strong carbene
anchoring groups on Au surfaces. Journal of the American Chemical Society.
2020;142(47):19902-19906. doi:10.1021/jacs.0c10743
apa: Doud, E. A., Starr, R. L., Kladnik, G., Voevodin, A., Montes, E., Arasu, N.
P., … Roy, X. (2020). Cyclopropenylidenes as strong carbene anchoring groups on
Au surfaces. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/jacs.0c10743
chicago: Doud, Evan A., Rachel L. Starr, Gregor Kladnik, Anastasia Voevodin, Enrique
Montes, Narendra P. Arasu, Yaping Zang, et al. “Cyclopropenylidenes as Strong
Carbene Anchoring Groups on Au Surfaces.” Journal of the American Chemical
Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c10743.
ieee: E. A. Doud et al., “Cyclopropenylidenes as strong carbene anchoring
groups on Au surfaces,” Journal of the American Chemical Society, vol.
142, no. 47. American Chemical Society, pp. 19902–19906, 2020.
ista: Doud EA, Starr RL, Kladnik G, Voevodin A, Montes E, Arasu NP, Zang Y, Zahl
P, Morgante A, Venkataraman L, Vázquez H, Cvetko D, Roy X. 2020. Cyclopropenylidenes
as strong carbene anchoring groups on Au surfaces. Journal of the American Chemical
Society. 142(47), 19902–19906.
mla: Doud, Evan A., et al. “Cyclopropenylidenes as Strong Carbene Anchoring Groups
on Au Surfaces.” Journal of the American Chemical Society, vol. 142, no.
47, American Chemical Society, 2020, pp. 19902–06, doi:10.1021/jacs.0c10743.
short: E.A. Doud, R.L. Starr, G. Kladnik, A. Voevodin, E. Montes, N.P. Arasu, Y.
Zang, P. Zahl, A. Morgante, L. Venkataraman, H. Vázquez, D. Cvetko, X. Roy, Journal
of the American Chemical Society 142 (2020) 19902–19906.
date_created: 2024-09-09T07:13:45Z
date_published: 2020-11-11T00:00:00Z
date_updated: 2024-12-10T10:34:58Z
day: '11'
doi: 10.1021/jacs.0c10743
extern: '1'
external_id:
pmid:
- '33175526'
intvolume: ' 142'
issue: '47'
language:
- iso: eng
month: '11'
oa_version: None
page: 19902-19906
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: Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17905'
abstract:
- lang: eng
text: A series of four oligomers of cyclopentadithiophene-vinylenes end capped with
pyridine groups was prepared and their optical and electronic properties studied.
Treatment with trifluoroacetic acid (TFA) leads to the bisprotonation of the nitrogens
of the pyridine, which has an important impact on the optical properties. Excess
treatment with TFA provokes the oxidation of the conjugated core, generating radical
cations and dications. The ease of the TFA treatment in solution was extended
to protonation in the solid-state where further characterization of the neutral
and TFA-treated samples was carried out in electrically active substrates in organic
field-effect transistors. Finally, the new molecules were found to be excellent
conductors in single-molecule junctions thanks to strong electron delocalization
and resonance orbital mediated transport. These studies show the opening of a
spectrum of possibilities by suitable terminal substitution of π-cores.
article_processing_charge: Yes
article_type: original
author:
- first_name: Fernando G.
full_name: Guijarro, Fernando G.
last_name: Guijarro
- first_name: Samara
full_name: Medina Rivero, Samara
last_name: Medina Rivero
- first_name: Suman
full_name: Gunasekaran, Suman
last_name: Gunasekaran
- first_name: Iratxe
full_name: Arretxea, Iratxe
last_name: Arretxea
- first_name: Rocío
full_name: Ponce Ortiz, Rocío
last_name: Ponce Ortiz
- first_name: Rubén
full_name: Caballero, Rubén
last_name: Caballero
- first_name: Pilar de la
full_name: Cruz, Pilar de la
last_name: Cruz
- first_name: Fernando
full_name: Langa, Fernando
last_name: Langa
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Juan
full_name: Casado, Juan
last_name: Casado
citation:
ama: Guijarro FG, Medina Rivero S, Gunasekaran S, et al. Synthesis and electronic
properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC
Advances. 2020;10(68):41264-41271. doi:10.1039/d0ra08220a
apa: Guijarro, F. G., Medina Rivero, S., Gunasekaran, S., Arretxea, I., Ponce Ortiz,
R., Caballero, R., … Casado, J. (2020). Synthesis and electronic properties of
pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC Advances.
Royal Society of Chemistry. https://doi.org/10.1039/d0ra08220a
chicago: Guijarro, Fernando G., Samara Medina Rivero, Suman Gunasekaran, Iratxe
Arretxea, Rocío Ponce Ortiz, Rubén Caballero, Pilar de la Cruz, Fernando Langa,
Latha Venkataraman, and Juan Casado. “Synthesis and Electronic Properties of Pyridine
End-Capped Cyclopentadithiophene-Vinylene Oligomers.” RSC Advances. Royal
Society of Chemistry, 2020. https://doi.org/10.1039/d0ra08220a.
ieee: F. G. Guijarro et al., “Synthesis and electronic properties of pyridine
end-capped cyclopentadithiophene-vinylene oligomers,” RSC Advances, vol.
10, no. 68. Royal Society of Chemistry, pp. 41264–41271, 2020.
ista: Guijarro FG, Medina Rivero S, Gunasekaran S, Arretxea I, Ponce Ortiz R, Caballero
R, Cruz P de la, Langa F, Venkataraman L, Casado J. 2020. Synthesis and electronic
properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC
Advances. 10(68), 41264–41271.
mla: Guijarro, Fernando G., et al. “Synthesis and Electronic Properties of Pyridine
End-Capped Cyclopentadithiophene-Vinylene Oligomers.” RSC Advances, vol.
10, no. 68, Royal Society of Chemistry, 2020, pp. 41264–71, doi:10.1039/d0ra08220a.
short: F.G. Guijarro, S. Medina Rivero, S. Gunasekaran, I. Arretxea, R. Ponce Ortiz,
R. Caballero, P. de la Cruz, F. Langa, L. Venkataraman, J. Casado, RSC Advances
10 (2020) 41264–41271.
date_created: 2024-09-09T07:14:34Z
date_published: 2020-11-11T00:00:00Z
date_updated: 2024-12-10T10:38:07Z
day: '11'
doi: 10.1039/d0ra08220a
extern: '1'
external_id:
pmid:
- '35516533'
intvolume: ' 10'
issue: '68'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc/3.0/
month: '11'
oa_version: Published Version
page: 41264-41271
pmid: 1
publication: RSC Advances
publication_identifier:
issn:
- 2046-2069
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene
oligomers
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2020'
...
---
OA_type: closed access
_id: '17906'
abstract:
- lang: eng
text: One-dimensional sp-hybridized carbon wires, including cumulenes and polyynes,
can be regarded as finite versions of carbynes. They are likely to be good candidates
for molecular-scale conducting wires as they are predicted to have a high-conductance.
In this study, we first characterize the single-molecule conductance of a series
of cumulenes and polyynes with a backbone ranging in length from 4 to 8 carbon
atoms, including [7]cumulene, the longest cumulenic carbon wire studied to date
for molecular electronics. We observe different length dependence of conductance
when comparing these two forms of carbon wires. Polyynes exhibit conductance decays
with increasing molecular length, while cumulenes show a conductance increase
with increasing molecular length. Their distinct conducting behaviors are attributed
to their different bond length alternation, which is supported by theoretical
calculations. This study confirms the long-standing theoretical predictions on
sp-hybridized carbon wires and demonstrates that cumulenes can form highly conducting
molecular wires.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Yaping
full_name: Zang, Yaping
last_name: Zang
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Qi
full_name: Zou, Qi
last_name: Zou
- first_name: Fay
full_name: Ng, Fay
last_name: Ng
- first_name: Hexing
full_name: Li, Hexing
last_name: Li
- 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: Zang Y, Fu T, Zou Q, et al. Cumulene wires display increasing conductance with
increasing length. Nano Letters. 2020;20(11):8415-8419. doi:10.1021/acs.nanolett.0c03794
apa: Zang, Y., Fu, T., Zou, Q., Ng, F., Li, H., Steigerwald, M. L., … Venkataraman,
L. (2020). Cumulene wires display increasing conductance with increasing length.
Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03794
chicago: Zang, Yaping, Tianren Fu, Qi Zou, Fay Ng, Hexing Li, Michael L. Steigerwald,
Colin Nuckolls, and Latha Venkataraman. “Cumulene Wires Display Increasing Conductance
with Increasing Length.” Nano Letters. American Chemical Society, 2020.
https://doi.org/10.1021/acs.nanolett.0c03794.
ieee: Y. Zang et al., “Cumulene wires display increasing conductance with
increasing length,” Nano Letters, vol. 20, no. 11. American Chemical Society,
pp. 8415–8419, 2020.
ista: Zang Y, Fu T, Zou Q, Ng F, Li H, Steigerwald ML, Nuckolls C, Venkataraman
L. 2020. Cumulene wires display increasing conductance with increasing length.
Nano Letters. 20(11), 8415–8419.
mla: Zang, Yaping, et al. “Cumulene Wires Display Increasing Conductance with Increasing
Length.” Nano Letters, vol. 20, no. 11, American Chemical Society, 2020,
pp. 8415–19, doi:10.1021/acs.nanolett.0c03794.
short: Y. Zang, T. Fu, Q. Zou, F. Ng, H. Li, M.L. Steigerwald, C. Nuckolls, L. Venkataraman,
Nano Letters 20 (2020) 8415–8419.
date_created: 2024-09-09T07:16:20Z
date_published: 2020-10-23T00:00:00Z
date_updated: 2024-12-10T10:41:40Z
day: '23'
doi: 10.1021/acs.nanolett.0c03794
extern: '1'
external_id:
pmid:
- '33095021'
intvolume: ' 20'
issue: '11'
language:
- iso: eng
month: '10'
oa_version: None
page: 8415-8419
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: Cumulene wires display increasing conductance with increasing length
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 20
year: '2020'
...
---
OA_type: closed access
_id: '17907'
abstract:
- lang: eng
text: Carbyne is a linear allotrope of carbon that is composed of a chain of sp-hybridized
carbon atoms. Through appropriate engineering of the chain termination, carbyne
can harbor helical states where the π-electron delocalization twists along the
axis of the chain. Herein, we present a comprehensive analysis of these helical
states at the tight-binding level. We demonstrate that, in general, the molecular
orbital coefficients of the helical states trace out an ellipse, in analogy to
elliptically polarized light. Helical states can be realized in a model, inspired
by the structure of cumulene, which considers a chain terminated by sp2-hybridized
atoms oriented at a nontrivial dihedral angle. We provide a complete analytic
solution for this model. Additionally, we present a variation of the model that
yields perfect helical states that trace out a circle as opposed to an ellipse.
Our results provide a deeper understanding of helical states and lay a foundation
for more advanced levels of theory.
article_number: '124304 '
article_processing_charge: No
article_type: original
author:
- first_name: Suman
full_name: Gunasekaran, Suman
last_name: Gunasekaran
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Gunasekaran S, Venkataraman L. Tight-binding analysis of helical states in
carbyne. The Journal of Chemical Physics. 2020;153(12). doi:10.1063/5.0021146
apa: Gunasekaran, S., & Venkataraman, L. (2020). Tight-binding analysis of helical
states in carbyne. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0021146
chicago: Gunasekaran, Suman, and Latha Venkataraman. “Tight-Binding Analysis of
Helical States in Carbyne.” The Journal of Chemical Physics. AIP Publishing,
2020. https://doi.org/10.1063/5.0021146.
ieee: S. Gunasekaran and L. Venkataraman, “Tight-binding analysis of helical states
in carbyne,” The Journal of Chemical Physics, vol. 153, no. 12. AIP Publishing,
2020.
ista: Gunasekaran S, Venkataraman L. 2020. Tight-binding analysis of helical states
in carbyne. The Journal of Chemical Physics. 153(12), 124304.
mla: Gunasekaran, Suman, and Latha Venkataraman. “Tight-Binding Analysis of Helical
States in Carbyne.” The Journal of Chemical Physics, vol. 153, no. 12,
124304, AIP Publishing, 2020, doi:10.1063/5.0021146.
short: S. Gunasekaran, L. Venkataraman, The Journal of Chemical Physics 153 (2020).
date_created: 2024-09-09T07:17:20Z
date_published: 2020-09-28T00:00:00Z
date_updated: 2024-12-10T10:46:25Z
day: '28'
doi: 10.1063/5.0021146
extern: '1'
external_id:
pmid:
- '33003709'
intvolume: ' 153'
issue: '12'
language:
- iso: eng
month: '09'
oa_version: None
pmid: 1
publication: The Journal of Chemical Physics
publication_identifier:
eissn:
- 1089-7690
issn:
- 0021-9606
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
scopus_import: '1'
status: public
title: Tight-binding analysis of helical states in carbyne
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 153
year: '2020'
...
---
OA_place: repository
OA_type: green
_id: '17908'
abstract:
- lang: eng
text: Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe
atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at
room temperature. Of widespread interest in fundamental studies and real-world
applications, they have also attracted some interest as functional elements of
molecular-scale devices. Here we investigate the impact of the configurational
degrees of freedom of a ferrocene derivative on its single-molecule junction conductance.
Measurements indicate that the conductance of the ferrocene derivative, which
is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue,
can be modulated by altering the junction configuration. Ab initio transport calculations
show that the low conductance is a consequence of destructive quantum interference
effects of the Fano type that arise from the hybridization of localized metal-based
d-orbitals and the delocalized ligand-based π-system. By rotation of the Cp rings,
the hybridization, and thus the quantum interference, can be mechanically controlled,
resulting in a conductance modulation that is seen experimentally.
article_processing_charge: No
article_type: letter_note
author:
- first_name: María
full_name: Camarasa-Gómez, María
last_name: Camarasa-Gómez
- first_name: Daniel
full_name: Hernangómez-Pérez, Daniel
last_name: Hernangómez-Pérez
- first_name: Michael S.
full_name: Inkpen, Michael S.
last_name: Inkpen
- first_name: Giacomo
full_name: Lovat, Giacomo
last_name: Lovat
- first_name: E-Dean
full_name: Fung, E-Dean
last_name: Fung
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Ferdinand
full_name: Evers, Ferdinand
last_name: Evers
citation:
ama: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, et al. Mechanically tunable
quantum interference in ferrocene-based single-molecule junctions. Nano Letters.
2020;20(9):6381-6386. doi:10.1021/acs.nanolett.0c01956
apa: Camarasa-Gómez, M., Hernangómez-Pérez, D., Inkpen, M. S., Lovat, G., Fung,
E.-D., Roy, X., … Evers, F. (2020). Mechanically tunable quantum interference
in ferrocene-based single-molecule junctions. Nano Letters. American Chemical
Society. https://doi.org/10.1021/acs.nanolett.0c01956
chicago: Camarasa-Gómez, María, Daniel Hernangómez-Pérez, Michael S. Inkpen, Giacomo
Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, and Ferdinand Evers. “Mechanically
Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” Nano
Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c01956.
ieee: M. Camarasa-Gómez et al., “Mechanically tunable quantum interference
in ferrocene-based single-molecule junctions,” Nano Letters, vol. 20, no.
9. American Chemical Society, pp. 6381–6386, 2020.
ista: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, Lovat G, Fung E-D, Roy X,
Venkataraman L, Evers F. 2020. Mechanically tunable quantum interference in ferrocene-based
single-molecule junctions. Nano Letters. 20(9), 6381–6386.
mla: Camarasa-Gómez, María, et al. “Mechanically Tunable Quantum Interference in
Ferrocene-Based Single-Molecule Junctions.” Nano Letters, vol. 20, no.
9, American Chemical Society, 2020, pp. 6381–86, doi:10.1021/acs.nanolett.0c01956.
short: M. Camarasa-Gómez, D. Hernangómez-Pérez, M.S. Inkpen, G. Lovat, E.-D. Fung,
X. Roy, L. Venkataraman, F. Evers, Nano Letters 20 (2020) 6381–6386.
date_created: 2024-09-09T07:18:19Z
date_published: 2020-08-03T00:00:00Z
date_updated: 2024-12-10T10:49:18Z
day: '03'
doi: 10.1021/acs.nanolett.0c01956
extern: '1'
external_id:
pmid:
- '32787164'
intvolume: ' 20'
issue: '9'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.26434/chemrxiv.12252059.v1
month: '08'
oa: 1
oa_version: Preprint
page: 6381-6386
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: Mechanically tunable quantum interference in ferrocene-based single-molecule
junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 20
year: '2020'
...
---
OA_type: closed access
_id: '17909'
abstract:
- lang: eng
text: Atomically precise clusters can be used to create single-electron devices
wherein a single redox-active cluster is connected to two macroscopic electrodes
via anchoring ligands. Unlike single-electron devices comprising nanocrystals,
these cluster-based devices can be fabricated with atomic precision. This affords
an unprecedented level of control over the device properties. Herein, we design
a series of cobalt chalcogenide clusters with varying ligand geometries and core
nuclearities to control their current–voltage (I–V) characteristics in a scanning
tunneling microscope-based break junction (STM-BJ) device. First, the device geometry
is modified by precisely positioning junction-anchoring ligands on the surface
of the cluster. We show that the I–V characteristics are independent of ligand
placement, confirming a sequential, single-electron tunneling mechanism. Next,
we chemically fuse two clusters to realize a larger cluster dimer that behaves
as a single electronic unit, possessing a smaller reorganization energy and more
accessible redox states than the monomeric analogues. As a result, dimer-based
devices exhibit significantly higher currents and can even be pushed to current
saturation at high bias. Owing to these controllable properties, single-cluster
junctions serve as an excellent platform for exploring incoherent charge transport
processes at the nanoscale. With this understanding, as well as properties such
as nonlinear I–V characteristics and rectification, these molecular clusters may
function as conductive inorganic nodes in new devices and materials.
article_processing_charge: No
article_type: original
author:
- first_name: Suman
full_name: Gunasekaran, Suman
last_name: Gunasekaran
- first_name: Douglas A.
full_name: Reed, Douglas A.
last_name: Reed
- first_name: Daniel W.
full_name: Paley, Daniel W.
last_name: Paley
- first_name: Amymarie K.
full_name: Bartholomew, Amymarie K.
last_name: Bartholomew
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Gunasekaran S, Reed DA, Paley DW, et al. Single-electron currents in designer
single-cluster devices. Journal of the American Chemical Society. 2020;142(35):14924-14932.
doi:10.1021/jacs.0c04970
apa: Gunasekaran, S., Reed, D. A., Paley, D. W., Bartholomew, A. K., Venkataraman,
L., Steigerwald, M. L., … Nuckolls, C. (2020). Single-electron currents in designer
single-cluster devices. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/jacs.0c04970
chicago: Gunasekaran, Suman, Douglas A. Reed, Daniel W. Paley, Amymarie K. Bartholomew,
Latha Venkataraman, Michael L. Steigerwald, Xavier Roy, and Colin Nuckolls. “Single-Electron
Currents in Designer Single-Cluster Devices.” Journal of the American Chemical
Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c04970.
ieee: S. Gunasekaran et al., “Single-electron currents in designer single-cluster
devices,” Journal of the American Chemical Society, vol. 142, no. 35. American
Chemical Society, pp. 14924–14932, 2020.
ista: Gunasekaran S, Reed DA, Paley DW, Bartholomew AK, Venkataraman L, Steigerwald
ML, Roy X, Nuckolls C. 2020. Single-electron currents in designer single-cluster
devices. Journal of the American Chemical Society. 142(35), 14924–14932.
mla: Gunasekaran, Suman, et al. “Single-Electron Currents in Designer Single-Cluster
Devices.” Journal of the American Chemical Society, vol. 142, no. 35, American
Chemical Society, 2020, pp. 14924–32, doi:10.1021/jacs.0c04970.
short: S. Gunasekaran, D.A. Reed, D.W. Paley, A.K. Bartholomew, L. Venkataraman,
M.L. Steigerwald, X. Roy, C. Nuckolls, Journal of the American Chemical Society
142 (2020) 14924–14932.
date_created: 2024-09-09T07:19:56Z
date_published: 2020-08-18T00:00:00Z
date_updated: 2024-12-10T12:04:31Z
day: '18'
doi: 10.1021/jacs.0c04970
extern: '1'
external_id:
pmid:
- '32809814'
intvolume: ' 142'
issue: '35'
language:
- iso: eng
month: '08'
oa_version: None
page: 14924-14932
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: Single-electron currents in designer single-cluster devices
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
_id: '17910'
abstract:
- lang: eng
text: The scanning tunneling microscope-based break junction (STM-BJ) is used widely
to create and characterize single metal-molecule-metal junctions. In this technique,
conductance is continuously recorded as a metal point contact is broken in a solution
of molecules. Conductance plateaus are seen when stable molecular junctions are
formed. Typically, thousands of junctions are created and measured, yielding thousands
of distinct conductance versus extension traces. However, such traces are rarely
analyzed individually to recognize the types of junctions formed. Here, we present
a deep learning-based method to identify molecular junctions and show that it
performs better than several commonly used and recently reported techniques. We
demonstrate molecular junction identification from mixed solution measurements
with accuracies as high as 97%. We also apply this model to an in situ electric
field-driven isomerization reaction of a [3]cumulene to follow the reaction over
time. Furthermore, we demonstrate that our model can remain accurate even when
a key parameter, the average junction conductance, is eliminated from the analysis,
showing that our model goes beyond conventional analysis in existing methods.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Yaping
full_name: Zang, Yaping
last_name: Zang
- first_name: Qi
full_name: Zou, Qi
last_name: Zou
- 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: Fu T, Zang Y, Zou Q, Nuckolls C, Venkataraman L. Using deep learning to identify
molecular junction characteristics. Nano Letters. 2020;20(5):3320-3325.
doi:10.1021/acs.nanolett.0c00198
apa: Fu, T., Zang, Y., Zou, Q., Nuckolls, C., & Venkataraman, L. (2020). Using
deep learning to identify molecular junction characteristics. Nano Letters.
American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c00198
chicago: Fu, Tianren, Yaping Zang, Qi Zou, Colin Nuckolls, and Latha Venkataraman.
“Using Deep Learning to Identify Molecular Junction Characteristics.” Nano
Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00198.
ieee: T. Fu, Y. Zang, Q. Zou, C. Nuckolls, and L. Venkataraman, “Using deep learning
to identify molecular junction characteristics,” Nano Letters, vol. 20,
no. 5. American Chemical Society, pp. 3320–3325, 2020.
ista: Fu T, Zang Y, Zou Q, Nuckolls C, Venkataraman L. 2020. Using deep learning
to identify molecular junction characteristics. Nano Letters. 20(5), 3320–3325.
mla: Fu, Tianren, et al. “Using Deep Learning to Identify Molecular Junction Characteristics.”
Nano Letters, vol. 20, no. 5, American Chemical Society, 2020, pp. 3320–25,
doi:10.1021/acs.nanolett.0c00198.
short: T. Fu, Y. Zang, Q. Zou, C. Nuckolls, L. Venkataraman, Nano Letters 20 (2020)
3320–3325.
date_created: 2024-09-09T07:20:52Z
date_published: 2020-04-03T00:00:00Z
date_updated: 2024-12-10T12:08:53Z
day: '03'
doi: 10.1021/acs.nanolett.0c00198
extern: '1'
external_id:
pmid:
- '32242671'
intvolume: ' 20'
issue: '5'
language:
- iso: eng
month: '04'
oa_version: None
page: 3320-3325
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: Using deep learning to identify molecular junction characteristics
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 20
year: '2020'
...
---
OA_place: publisher
OA_type: hybrid
_id: '17911'
abstract:
- lang: eng
text: Single-molecule break junction measurements deliver a huge number of conductance
vs. electrode separation traces. During such measurements, the target molecules
may bind to the electrodes in different geometries, and the evolution and rupture
of the single-molecule junction may also follow distinct trajectories. The unraveling
of the various typical trace classes is a prerequisite to the proper physical
interpretation of the data. Here we exploit the efficient feature recognition
properties of neural networks to automatically find the relevant trace classes.
To eliminate the need for manually labeled training data we apply a combined method,
which automatically selects training traces according to the extreme values of
principal component projections or some auxiliary measured quantities. Then the
network captures the features of these characteristic traces and generalizes its
inference to the entire dataset. The use of a simple neural network structure
also enables a direct insight into the decision-making mechanism. We demonstrate
that this combined machine learning method is efficient in the unsupervised recognition
of unobvious, but highly relevant trace classes within low and room temperature
gold–4,4′ bipyridine–gold single-molecule break junction data.
article_processing_charge: Yes
article_type: original
arxiv: 1
author:
- first_name: András
full_name: Magyarkuti, András
last_name: Magyarkuti
- first_name: Nóra
full_name: Balogh, Nóra
last_name: Balogh
- first_name: Zoltán
full_name: Balogh, Zoltán
last_name: Balogh
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: András
full_name: Halbritter, András
last_name: Halbritter
citation:
ama: Magyarkuti A, Balogh N, Balogh Z, Venkataraman L, Halbritter A. Unsupervised
feature recognition in single-molecule break junction data. Nanoscale.
2020;12(15):8355-8363. doi:10.1039/d0nr00467g
apa: Magyarkuti, A., Balogh, N., Balogh, Z., Venkataraman, L., & Halbritter,
A. (2020). Unsupervised feature recognition in single-molecule break junction
data. Nanoscale. Royal Society of Chemistry. https://doi.org/10.1039/d0nr00467g
chicago: Magyarkuti, András, Nóra Balogh, Zoltán Balogh, Latha Venkataraman, and
András Halbritter. “Unsupervised Feature Recognition in Single-Molecule Break
Junction Data.” Nanoscale. Royal Society of Chemistry, 2020. https://doi.org/10.1039/d0nr00467g.
ieee: A. Magyarkuti, N. Balogh, Z. Balogh, L. Venkataraman, and A. Halbritter, “Unsupervised
feature recognition in single-molecule break junction data,” Nanoscale,
vol. 12, no. 15. Royal Society of Chemistry, pp. 8355–8363, 2020.
ista: Magyarkuti A, Balogh N, Balogh Z, Venkataraman L, Halbritter A. 2020. Unsupervised
feature recognition in single-molecule break junction data. Nanoscale. 12(15),
8355–8363.
mla: Magyarkuti, András, et al. “Unsupervised Feature Recognition in Single-Molecule
Break Junction Data.” Nanoscale, vol. 12, no. 15, Royal Society of Chemistry,
2020, pp. 8355–63, doi:10.1039/d0nr00467g.
short: A. Magyarkuti, N. Balogh, Z. Balogh, L. Venkataraman, A. Halbritter, Nanoscale
12 (2020) 8355–8363.
date_created: 2024-09-09T07:21:34Z
date_published: 2020-03-25T00:00:00Z
date_updated: 2024-12-10T12:13:16Z
day: '25'
doi: 10.1039/d0nr00467g
extern: '1'
external_id:
arxiv:
- '2001.03006'
intvolume: ' 12'
issue: '15'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D0NR00467G
month: '03'
oa: 1
oa_version: Published Version
page: 8355-8363
publication: Nanoscale
publication_identifier:
eissn:
- 2040-3372
issn:
- 2040-3364
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Unsupervised feature recognition in single-molecule break junction data
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2020'
...
---
OA_type: closed access
_id: '17912'
abstract:
- lang: eng
text: Aryl halides are ubiquitous functional groups in organic chemistry, yet despite
their obvious appeal as surface-binding linkers and as precursors for controlled
graphene nanoribbon synthesis, they have seldom been used as such in molecular
electronics. The confusion regarding the bonding of aryl iodides to Au electrodes
is a case in point, with ambiguous reports of both dative Au–I and covalent Au–C
contacts. Here we form single-molecule junctions with a series of oligophenylene
molecular wires terminated asymmetrically with iodine and thiomethyl to show that
the dative Au–I contact has a lower conductance than the covalent Au–C interaction,
which we propose occurs via an in situ oxidative addition reaction at the Au surface.
Furthermore, we confirm the formation of the Au–C bond by measuring an analogous
series of molecules prepared ex situ with the complex AuI(PPh3) in place of the
iodide. Density functional theory-based transport calculations support our experimental
observations that Au–C linkages have higher conductance than Au–I linkages. Finally,
we demonstrate selective promotion of the Au–C bond formation by controlling the
bias applied across the junction. In addition to establishing the different binding
modes of aryl iodides, our results chart a path to actively controlling oxidative
addition on an Au surface using an applied bias.
article_processing_charge: No
article_type: original
author:
- first_name: Rachel L.
full_name: Starr, Rachel L.
last_name: Starr
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Evan A.
full_name: Doud, Evan A.
last_name: Doud
- first_name: Ilana
full_name: Stone, Ilana
last_name: Stone
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. Gold–carbon contacts
from oxidative addition of aryl iodides. Journal of the American Chemical Society.
2020;142(15):7128-7133. doi:10.1021/jacs.0c01466
apa: Starr, R. L., Fu, T., Doud, E. A., Stone, I., Roy, X., & Venkataraman,
L. (2020). Gold–carbon contacts from oxidative addition of aryl iodides. Journal
of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c01466
chicago: Starr, Rachel L., Tianren Fu, Evan A. Doud, Ilana Stone, Xavier Roy, and
Latha Venkataraman. “Gold–Carbon Contacts from Oxidative Addition of Aryl Iodides.”
Journal of the American Chemical Society. American Chemical Society, 2020.
https://doi.org/10.1021/jacs.0c01466.
ieee: R. L. Starr, T. Fu, E. A. Doud, I. Stone, X. Roy, and L. Venkataraman, “Gold–carbon
contacts from oxidative addition of aryl iodides,” Journal of the American
Chemical Society, vol. 142, no. 15. American Chemical Society, pp. 7128–7133,
2020.
ista: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. 2020. Gold–carbon
contacts from oxidative addition of aryl iodides. Journal of the American Chemical
Society. 142(15), 7128–7133.
mla: Starr, Rachel L., et al. “Gold–Carbon Contacts from Oxidative Addition of Aryl
Iodides.” Journal of the American Chemical Society, vol. 142, no. 15, American
Chemical Society, 2020, pp. 7128–33, doi:10.1021/jacs.0c01466.
short: R.L. Starr, T. Fu, E.A. Doud, I. Stone, X. Roy, L. Venkataraman, Journal
of the American Chemical Society 142 (2020) 7128–7133.
date_created: 2024-09-09T07:22:26Z
date_published: 2020-03-26T00:00:00Z
date_updated: 2024-12-10T12:20:47Z
day: '26'
doi: 10.1021/jacs.0c01466
extern: '1'
external_id:
pmid:
- '32212683'
intvolume: ' 142'
issue: '15'
language:
- iso: eng
month: '03'
oa_version: None
page: 7128-7133
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: Gold–carbon contacts from oxidative addition of aryl iodides
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 142
year: '2020'
...
---
OA_type: closed access
_id: '17913'
abstract:
- lang: eng
text: Electron transport across a molecular junction is characterized by an energy-dependent
transmission function. The transmission function accounts for electrons tunneling
through multiple molecular orbitals (MOs) with different phases, which gives rise
to quantum interference (QI) effects. Because the transmission function comprises
both interfering and noninterfering effects, individual interferences between
MOs cannot be deduced from the transmission function directly. Herein, we demonstrate
how the transmission function can be deconstructed into its constituent interfering
and noninterfering contributions for any model molecular junction. These contributions
are arranged in a matrix and displayed pictorially as a QI map, which allows one
to easily identify individual QI effects. Importantly, we show that exponential
conductance decay with increasing oligomer length is primarily due to an increase
in destructive QI. With an ability to “see” QI effects using the QI map, we find
that QI is vital to all molecular-scale electron transport.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Suman
full_name: Gunasekaran, Suman
last_name: Gunasekaran
- first_name: Julia E.
full_name: Greenwald, Julia E.
last_name: Greenwald
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Gunasekaran S, Greenwald JE, Venkataraman L. Visualizing quantum interference
in molecular junctions. Nano Letters. 2020;20(4):2843-2848. doi:10.1021/acs.nanolett.0c00605
apa: Gunasekaran, S., Greenwald, J. E., & Venkataraman, L. (2020). Visualizing
quantum interference in molecular junctions. Nano Letters. American Chemical
Society. https://doi.org/10.1021/acs.nanolett.0c00605
chicago: Gunasekaran, Suman, Julia E. Greenwald, and Latha Venkataraman. “Visualizing
Quantum Interference in Molecular Junctions.” Nano Letters. American Chemical
Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00605.
ieee: S. Gunasekaran, J. E. Greenwald, and L. Venkataraman, “Visualizing quantum
interference in molecular junctions,” Nano Letters, vol. 20, no. 4. American
Chemical Society, pp. 2843–2848, 2020.
ista: Gunasekaran S, Greenwald JE, Venkataraman L. 2020. Visualizing quantum interference
in molecular junctions. Nano Letters. 20(4), 2843–2848.
mla: Gunasekaran, Suman, et al. “Visualizing Quantum Interference in Molecular Junctions.”
Nano Letters, vol. 20, no. 4, American Chemical Society, 2020, pp. 2843–48,
doi:10.1021/acs.nanolett.0c00605.
short: S. Gunasekaran, J.E. Greenwald, L. Venkataraman, Nano Letters 20 (2020) 2843–2848.
date_created: 2024-09-09T07:36:41Z
date_published: 2020-03-06T00:00:00Z
date_updated: 2024-12-10T12:24:13Z
day: '06'
doi: 10.1021/acs.nanolett.0c00605
extern: '1'
external_id:
pmid:
- '32142291'
intvolume: ' 20'
issue: '4'
language:
- iso: eng
month: '03'
oa_version: None
page: 2843-2848
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: Visualizing quantum interference in molecular junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 20
year: '2020'
...