---
OA_place: repository
OA_type: green
_id: '17971'
abstract:
- lang: eng
text: We study the impact of electrode band structure on transport through single-molecule
junctions by measuring the conductance of pyridine-based molecules using Ag and
Au electrodes. Our experiments are carried out using the scanning tunneling microscope
based break-junction technique and are supported by density functional theory
based calculations. We find from both experiments and calculations that the coupling
of the dominant transport orbital to the metal is stronger for Au-based junctions
when compared with Ag-based junctions. We attribute this difference to relativistic
effects, which result in an enhanced density of d-states at the Fermi energy for
Au compared with Ag. We further show that the alignment of the conducting orbital
relative to the Fermi level does not follow the work function difference between
two metals and is different for conjugated and saturated systems. We thus demonstrate
that the details of the molecular level alignment and electronic coupling in metal–organic
interfaces do not follow simple rules but are rather the consequence of subtle
local interactions.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Olgun
full_name: Adak, Olgun
last_name: Adak
- first_name: Richard
full_name: Korytár, Richard
last_name: Korytár
- first_name: Andrew Y.
full_name: Joe, Andrew Y.
last_name: Joe
- first_name: Ferdinand
full_name: Evers, Ferdinand
last_name: Evers
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Adak O, Korytár R, Joe AY, Evers F, Venkataraman L. Impact of electrode density
of states on transport through pyridine-linked single molecule junctions. Nano
Letters. 2015;15(6):3716-3722. doi:10.1021/acs.nanolett.5b01195
apa: Adak, O., Korytár, R., Joe, A. Y., Evers, F., & Venkataraman, L. (2015).
Impact of electrode density of states on transport through pyridine-linked single
molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.5b01195
chicago: Adak, Olgun, Richard Korytár, Andrew Y. Joe, Ferdinand Evers, and Latha
Venkataraman. “Impact of Electrode Density of States on Transport through Pyridine-Linked
Single Molecule Junctions.” Nano Letters. American Chemical Society, 2015.
https://doi.org/10.1021/acs.nanolett.5b01195.
ieee: O. Adak, R. Korytár, A. Y. Joe, F. Evers, and L. Venkataraman, “Impact of
electrode density of states on transport through pyridine-linked single molecule
junctions,” Nano Letters, vol. 15, no. 6. American Chemical Society, pp.
3716–3722, 2015.
ista: Adak O, Korytár R, Joe AY, Evers F, Venkataraman L. 2015. Impact of electrode
density of states on transport through pyridine-linked single molecule junctions.
Nano Letters. 15(6), 3716–3722.
mla: Adak, Olgun, et al. “Impact of Electrode Density of States on Transport through
Pyridine-Linked Single Molecule Junctions.” Nano Letters, vol. 15, no.
6, American Chemical Society, 2015, pp. 3716–22, doi:10.1021/acs.nanolett.5b01195.
short: O. Adak, R. Korytár, A.Y. Joe, F. Evers, L. Venkataraman, Nano Letters 15
(2015) 3716–3722.
date_created: 2024-09-09T10:02:07Z
date_published: 2015-05-28T00:00:00Z
date_updated: 2024-12-18T11:37:35Z
day: '28'
doi: 10.1021/acs.nanolett.5b01195
extern: '1'
external_id:
arxiv:
- '1504.00242'
fulldoi: https://doi.org/10.1021/acs.nanolett.5b01195
intvolume: ' 15'
issue: '6'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1504.00242
month: '05'
oa: 1
oa_version: Preprint
page: 3716-3722
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: Impact of electrode density of states on transport through pyridine-linked
single molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 15
year: '2015'
...
---
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'
...
---
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: '17987'
abstract:
- lang: eng
text: We modulate the conductance of electrochemically inactive molecules in single-molecule
junctions using an electrolytic gate to controllably tune the energy level alignment
of the system. Molecular junctions that conduct through their highest occupied
molecular orbital show a decrease in conductance when applying a positive electrochemical
potential, and those that conduct though their lowest unoccupied molecular orbital
show the opposite trend. We fit the experimentally measured conductance data as
a function of gate voltage with a Lorentzian function and find the fitting parameters
to be in quantitative agreement with self-energy corrected density functional
theory calculations of transmission probability across single-molecule junctions.
This work shows that electrochemical gating can directly modulate the alignment
of the conducting orbital relative to the metal Fermi energy, thereby changing
the junction transport properties.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Brian
full_name: Capozzi, Brian
last_name: Capozzi
- first_name: Qishui
full_name: Chen, Qishui
last_name: Chen
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Michele
full_name: Kotiuga, Michele
last_name: Kotiuga
- first_name: Marisa
full_name: Buzzeo, Marisa
last_name: Buzzeo
- first_name: Jeffrey B.
full_name: Neaton, Jeffrey B.
last_name: Neaton
- 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: Capozzi B, Chen Q, Darancet P, et al. Tunable charge transport in single-molecule
junctions via electrolytic gating. Nano Letters. 2014;14(3):1400-1404.
doi:10.1021/nl404459q
apa: Capozzi, B., Chen, Q., Darancet, P., Kotiuga, M., Buzzeo, M., Neaton, J. B.,
… Venkataraman, L. (2014). Tunable charge transport in single-molecule junctions
via electrolytic gating. Nano Letters. American Chemical Society. https://doi.org/10.1021/nl404459q
chicago: Capozzi, Brian, Qishui Chen, Pierre Darancet, Michele Kotiuga, Marisa Buzzeo,
Jeffrey B. Neaton, Colin Nuckolls, and Latha Venkataraman. “Tunable Charge Transport
in Single-Molecule Junctions via Electrolytic Gating.” Nano Letters. American
Chemical Society, 2014. https://doi.org/10.1021/nl404459q.
ieee: B. Capozzi et al., “Tunable charge transport in single-molecule junctions
via electrolytic gating,” Nano Letters, vol. 14, no. 3. American Chemical
Society, pp. 1400–1404, 2014.
ista: Capozzi B, Chen Q, Darancet P, Kotiuga M, Buzzeo M, Neaton JB, Nuckolls C,
Venkataraman L. 2014. Tunable charge transport in single-molecule junctions via
electrolytic gating. Nano Letters. 14(3), 1400–1404.
mla: Capozzi, Brian, et al. “Tunable Charge Transport in Single-Molecule Junctions
via Electrolytic Gating.” Nano Letters, vol. 14, no. 3, American Chemical
Society, 2014, pp. 1400–04, doi:10.1021/nl404459q.
short: B. Capozzi, Q. Chen, P. Darancet, M. Kotiuga, M. Buzzeo, J.B. Neaton, C.
Nuckolls, L. Venkataraman, Nano Letters 14 (2014) 1400–1404.
date_created: 2024-09-09T11:24:14Z
date_published: 2014-02-02T00:00:00Z
date_updated: 2025-01-02T14:15:49Z
day: '02'
doi: 10.1021/nl404459q
extern: '1'
external_id:
pmid:
- '24490721'
fulldoi: https://doi.org/10.1021/nl404459q
intvolume: ' 14'
issue: '3'
language:
- iso: eng
month: '02'
oa_version: None
page: 1400-1404
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: Tunable charge transport in single-molecule junctions via electrolytic gating
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2014'
...
---
OA_type: closed access
_id: '17988'
abstract:
- lang: eng
text: We measure conductance and thermopower of single Au–4,4′-bipyridine–Au junctions
in distinct low and high conductance binding geometries accessed by modulating
the electrode separation. We use these data to determine the electronic energy
level alignment and coupling strength for these junctions, which are known to
conduct through the lowest unoccupied molecular orbital (LUMO). Contrary to intuition,
we find that, in the high-conductance junction, the LUMO resonance energy is further
away from the Au Fermi energy than in the low-conductance junction. However, the
LUMO of the high-conducting junction is better coupled to the electrode. These
results are in good quantitative agreement with self-energy corrected zero-bias
density functional theory calculations. Our calculations show further that measurements
of conductance and thermopower in amine-terminated oligophenyl–Au junctions, where
conduction occurs through the highest occupied molecular orbitals, cannot be used
to extract electronic parameters as their transmission functions do not follow
a simple Lorentzian form.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Taekyeong
full_name: Kim, Taekyeong
last_name: Kim
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Michele
full_name: Kotiuga, Michele
last_name: Kotiuga
- first_name: Su Ying
full_name: Quek, Su Ying
last_name: Quek
- first_name: Jeffrey B.
full_name: Neaton, Jeffrey B.
last_name: Neaton
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Kim T, Darancet P, Widawsky JR, et al. Determination of energy level alignment
and coupling strength in 4,4′-bipyridine single-molecule junctions. Nano Letters.
2014;14(2):794-798. doi:10.1021/nl404143v
apa: Kim, T., Darancet, P., Widawsky, J. R., Kotiuga, M., Quek, S. Y., Neaton, J.
B., & Venkataraman, L. (2014). Determination of energy level alignment and
coupling strength in 4,4′-bipyridine single-molecule junctions. Nano Letters.
American Chemical Society. https://doi.org/10.1021/nl404143v
chicago: Kim, Taekyeong, Pierre Darancet, Jonathan R. Widawsky, Michele Kotiuga,
Su Ying Quek, Jeffrey B. Neaton, and Latha Venkataraman. “Determination of Energy
Level Alignment and Coupling Strength in 4,4′-Bipyridine Single-Molecule Junctions.”
Nano Letters. American Chemical Society, 2014. https://doi.org/10.1021/nl404143v.
ieee: T. Kim et al., “Determination of energy level alignment and coupling
strength in 4,4′-bipyridine single-molecule junctions,” Nano Letters, vol.
14, no. 2. American Chemical Society, pp. 794–798, 2014.
ista: Kim T, Darancet P, Widawsky JR, Kotiuga M, Quek SY, Neaton JB, Venkataraman
L. 2014. Determination of energy level alignment and coupling strength in 4,4′-bipyridine
single-molecule junctions. Nano Letters. 14(2), 794–798.
mla: Kim, Taekyeong, et al. “Determination of Energy Level Alignment and Coupling
Strength in 4,4′-Bipyridine Single-Molecule Junctions.” Nano Letters, vol.
14, no. 2, American Chemical Society, 2014, pp. 794–98, doi:10.1021/nl404143v.
short: T. Kim, P. Darancet, J.R. Widawsky, M. Kotiuga, S.Y. Quek, J.B. Neaton, L.
Venkataraman, Nano Letters 14 (2014) 794–798.
date_created: 2024-09-09T11:24:55Z
date_published: 2014-01-21T00:00:00Z
date_updated: 2025-01-03T07:44:13Z
day: '21'
doi: 10.1021/nl404143v
extern: '1'
external_id:
pmid:
- '24446585'
fulldoi: https://doi.org/10.1021/nl404143v
intvolume: ' 14'
issue: '2'
language:
- iso: eng
month: '01'
oa_version: None
page: 794-798
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: Determination of energy level alignment and coupling strength in 4,4′-bipyridine
single-molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2014'
...
---
OA_type: closed access
_id: '17993'
abstract:
- lang: eng
text: We demonstrate a new method of achieving rectification in single molecule
devices using the high-bias properties of gold–carbon bonds. Our design for molecular
rectifiers uses a symmetric, conjugated molecular backbone with a single methylsulfide
group linking one end to a gold electrode and a covalent gold–carbon bond at the
other end. The gold–carbon bond results in a hybrid gold-molecule “gateway” state
pinned close to the Fermi level of one electrode. Through nonequilibrium transport
calculations, we show that the energy of this state shifts drastically with applied
bias, resulting in rectification at surprisingly low voltages. We use this concept
to design and synthesize a family of diodes and demonstrate through single-molecule
current–voltage measurements that the rectification ratio can be predictably and
efficiently tuned. This result constitutes the first experimental demonstration
of a rationally tunable system of single-molecule rectifiers. More generally,
the results demonstrate that the high-bias properties of “gateway” states can
be used to provide additional functionality to molecular electronic systems.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Arunabh
full_name: Batra, Arunabh
last_name: Batra
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Qishui
full_name: Chen, Qishui
last_name: Chen
- first_name: Jeffrey S.
full_name: Meisner, Jeffrey S.
last_name: Meisner
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Jeffrey B.
full_name: Neaton, Jeffrey B.
last_name: Neaton
- 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, Darancet P, Chen Q, et al. Tuning rectification in single-molecular
diodes. Nano Letters. 2013;13(12):6233-6237. doi:10.1021/nl403698m
apa: Batra, A., Darancet, P., Chen, Q., Meisner, J. S., Widawsky, J. R., Neaton,
J. B., … Venkataraman, L. (2013). Tuning rectification in single-molecular diodes.
Nano Letters. American Chemical Society. https://doi.org/10.1021/nl403698m
chicago: Batra, Arunabh, Pierre Darancet, Qishui Chen, Jeffrey S. Meisner, Jonathan
R. Widawsky, Jeffrey B. Neaton, Colin Nuckolls, and Latha Venkataraman. “Tuning
Rectification in Single-Molecular Diodes.” Nano Letters. American Chemical
Society, 2013. https://doi.org/10.1021/nl403698m.
ieee: A. Batra et al., “Tuning rectification in single-molecular diodes,”
Nano Letters, vol. 13, no. 12. American Chemical Society, pp. 6233–6237,
2013.
ista: Batra A, Darancet P, Chen Q, Meisner JS, Widawsky JR, Neaton JB, Nuckolls
C, Venkataraman L. 2013. Tuning rectification in single-molecular diodes. Nano
Letters. 13(12), 6233–6237.
mla: Batra, Arunabh, et al. “Tuning Rectification in Single-Molecular Diodes.” Nano
Letters, vol. 13, no. 12, American Chemical Society, 2013, pp. 6233–37, doi:10.1021/nl403698m.
short: A. Batra, P. Darancet, Q. Chen, J.S. Meisner, J.R. Widawsky, J.B. Neaton,
C. Nuckolls, L. Venkataraman, Nano Letters 13 (2013) 6233–6237.
date_created: 2024-09-09T11:29:47Z
date_published: 2013-11-25T00:00:00Z
date_updated: 2025-01-03T07:57:04Z
day: '25'
doi: 10.1021/nl403698m
extern: '1'
external_id:
pmid:
- '24274757'
fulldoi: https://doi.org/10.1021/nl403698m
intvolume: ' 13'
issue: '12'
language:
- iso: eng
month: '11'
oa_version: None
page: 6233-6237
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: Tuning rectification in single-molecular diodes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2013'
...
---
OA_type: closed access
_id: '17996'
abstract:
- lang: eng
text: We compare the conductance of a series of amine-terminated oligophenyl and
alkane molecular junctions formed with Ag and Au electrodes using the scanning
tunneling microscope based break-junction technique. For these molecules that
conduct through the highest occupied molecular orbital, junctions formed with
Au electrodes are more conductive than those formed with Ag electrodes, consistent
with the lower work function for Ag. The measured conductance decays exponentially
with molecular backbone length with a decay constant that is essentially the same
for Ag and Au electrodes. However, the formation and evolution of molecular junctions
upon elongation are very different for these two metals. Specifically, junctions
formed with Ag electrodes sustain significantly longer elongation when compared
with Au due to a difference in the initial gap opened up when the metal point-contact
is broken. Using this observation and density functional theory calculations of
junction structure and conductance we explain the trends observed in the single
molecule junction conductance. Our work thus opens a new path to the conductance
measurements of a single molecule junction in Ag electrodes.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Taekyeong
full_name: Kim, Taekyeong
last_name: Kim
- first_name: Héctor
full_name: Vázquez, Héctor
last_name: Vázquez
- 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: Kim T, Vázquez H, Hybertsen MS, Venkataraman L. Conductance of molecular junctions
formed with silver electrodes. Nano Letters. 2013;13(7):3358-3364. doi:10.1021/nl401654s
apa: Kim, T., Vázquez, H., Hybertsen, M. S., & Venkataraman, L. (2013). Conductance
of molecular junctions formed with silver electrodes. Nano Letters. American
Chemical Society. https://doi.org/10.1021/nl401654s
chicago: Kim, Taekyeong, Héctor Vázquez, Mark S. Hybertsen, and Latha Venkataraman.
“Conductance of Molecular Junctions Formed with Silver Electrodes.” Nano Letters.
American Chemical Society, 2013. https://doi.org/10.1021/nl401654s.
ieee: T. Kim, H. Vázquez, M. S. Hybertsen, and L. Venkataraman, “Conductance of
molecular junctions formed with silver electrodes,” Nano Letters, vol.
13, no. 7. American Chemical Society, pp. 3358–3364, 2013.
ista: Kim T, Vázquez H, Hybertsen MS, Venkataraman L. 2013. Conductance of molecular
junctions formed with silver electrodes. Nano Letters. 13(7), 3358–3364.
mla: Kim, Taekyeong, et al. “Conductance of Molecular Junctions Formed with Silver
Electrodes.” Nano Letters, vol. 13, no. 7, American Chemical Society, 2013,
pp. 3358–64, doi:10.1021/nl401654s.
short: T. Kim, H. Vázquez, M.S. Hybertsen, L. Venkataraman, Nano Letters 13 (2013)
3358–3364.
date_created: 2024-09-09T11:32:49Z
date_published: 2013-06-03T00:00:00Z
date_updated: 2025-01-03T08:02:58Z
day: '03'
doi: 10.1021/nl401654s
extern: '1'
external_id:
pmid:
- '23731268'
fulldoi: https://doi.org/10.1021/nl401654s
intvolume: ' 13'
issue: '7'
language:
- iso: eng
month: '06'
oa_version: None
page: 3358-3364
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: Conductance of molecular junctions formed with silver electrodes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2013'
...
---
OA_type: closed access
_id: '17997'
abstract:
- lang: eng
text: We report the simultaneous measurement of conductance and thermopower of highly
conducting single-molecule junctions using a scanning tunneling microscope-based
break-junction setup. We start with molecular backbones (alkanes and oligophenyls)
terminated with trimethyltin end groups that cleave off in situ to create junctions
where terminal carbons are covalently bonded to the Au electrodes. We apply a
thermal gradient across these junctions and measure their conductance and thermopower.
Because of the electronic properties of the highly conducting Au–C links, the
thermoelectric properties and power factor are very high. Our results show that
the molecular thermopower increases nonlinearly with the molecular length while
conductance decreases exponentially with increasing molecular length. Density
functional theory calculations show that a gateway state representing the Au–C
covalent bond plays a key role in the conductance. With this as input, we analyze
a series of simplified models and show that a tight-binding model that explicitly
includes the gateway states and the molecular backbone states accurately captures
the experimentally measured conductance and thermopower trends.
article_processing_charge: No
article_type: letter_note
author:
- first_name: J. R.
full_name: Widawsky, J. R.
last_name: Widawsky
- first_name: W.
full_name: Chen, W.
last_name: Chen
- first_name: H.
full_name: Vázquez, H.
last_name: Vázquez
- first_name: T.
full_name: Kim, T.
last_name: Kim
- first_name: R.
full_name: Breslow, R.
last_name: Breslow
- first_name: M. S.
full_name: Hybertsen, M. 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: Widawsky JR, Chen W, Vázquez H, et al. Length-dependent thermopower of highly
conducting Au–C bonded single molecule junctions. Nano Letters. 2013;13(6):2889-2894.
doi:10.1021/nl4012276
apa: Widawsky, J. R., Chen, W., Vázquez, H., Kim, T., Breslow, R., Hybertsen, M.
S., & Venkataraman, L. (2013). Length-dependent thermopower of highly conducting
Au–C bonded single molecule junctions. Nano Letters. American Chemical
Society. https://doi.org/10.1021/nl4012276
chicago: Widawsky, J. R., W. Chen, H. Vázquez, T. Kim, R. Breslow, M. S. Hybertsen,
and Latha Venkataraman. “Length-Dependent Thermopower of Highly Conducting Au–C
Bonded Single Molecule Junctions.” Nano Letters. American Chemical Society,
2013. https://doi.org/10.1021/nl4012276.
ieee: J. R. Widawsky et al., “Length-dependent thermopower of highly conducting
Au–C bonded single molecule junctions,” Nano Letters, vol. 13, no. 6. American
Chemical Society, pp. 2889–2894, 2013.
ista: Widawsky JR, Chen W, Vázquez H, Kim T, Breslow R, Hybertsen MS, Venkataraman
L. 2013. Length-dependent thermopower of highly conducting Au–C bonded single
molecule junctions. Nano Letters. 13(6), 2889–2894.
mla: Widawsky, J. R., et al. “Length-Dependent Thermopower of Highly Conducting
Au–C Bonded Single Molecule Junctions.” Nano Letters, vol. 13, no. 6, American
Chemical Society, 2013, pp. 2889–94, doi:10.1021/nl4012276.
short: J.R. Widawsky, W. Chen, H. Vázquez, T. Kim, R. Breslow, M.S. Hybertsen, L.
Venkataraman, Nano Letters 13 (2013) 2889–2894.
date_created: 2024-09-09T11:33:33Z
date_published: 2013-05-17T00:00:00Z
date_updated: 2025-01-03T08:05:44Z
day: '17'
doi: 10.1021/nl4012276
extern: '1'
external_id:
pmid:
- '23682792'
fulldoi: https://doi.org/10.1021/nl4012276
intvolume: ' 13'
issue: '6'
language:
- iso: eng
month: '05'
oa_version: None
page: 2889-2894
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: Length-dependent thermopower of highly conducting Au–C bonded single molecule
junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2013'
...
---
OA_place: repository
OA_type: green
_id: '18002'
abstract:
- lang: eng
text: Using self-energy-corrected density functional theory (DFT) and a coherent
scattering-state approach, we explain current–voltage (IV) measurements of four
pyridine-Au and amine-Au linked molecular junctions with quantitative accuracy.
Parameter-free many-electron self-energy corrections to DFT Kohn–Sham eigenvalues
are demonstrated to lead to excellent agreement with experiments at finite bias,
improving upon order-of-magnitude errors in currents obtained with standard DFT
approaches. We further propose an approximate route for prediction of quantitative
IV characteristics for both symmetric and asymmetric molecular junctions based
on linear response theory and knowledge of the Stark shifts of junction resonance
energies. Our work demonstrates that a quantitative, computationally inexpensive
description of coherent transport in molecular junctions is readily achievable,
enabling new understanding and control of charge transport properties of molecular-scale
interfaces at large bias voltages.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Hyoung Joon
full_name: Choi, Hyoung Joon
last_name: Choi
- 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: Darancet P, Widawsky JR, Choi HJ, Venkataraman L, Neaton JB. Quantitative current–voltage
characteristics in molecular junctions from first principles. Nano Letters.
2012;12(12):6250-6254. doi:10.1021/nl3033137
apa: Darancet, P., Widawsky, J. R., Choi, H. J., Venkataraman, L., & Neaton,
J. B. (2012). Quantitative current–voltage characteristics in molecular junctions
from first principles. Nano Letters. American Chemical Society. https://doi.org/10.1021/nl3033137
chicago: Darancet, Pierre, Jonathan R. Widawsky, Hyoung Joon Choi, Latha Venkataraman,
and Jeffrey B. Neaton. “Quantitative Current–Voltage Characteristics in Molecular
Junctions from First Principles.” Nano Letters. American Chemical Society,
2012. https://doi.org/10.1021/nl3033137.
ieee: P. Darancet, J. R. Widawsky, H. J. Choi, L. Venkataraman, and J. B. Neaton,
“Quantitative current–voltage characteristics in molecular junctions from first
principles,” Nano Letters, vol. 12, no. 12. American Chemical Society,
pp. 6250–6254, 2012.
ista: Darancet P, Widawsky JR, Choi HJ, Venkataraman L, Neaton JB. 2012. Quantitative
current–voltage characteristics in molecular junctions from first principles.
Nano Letters. 12(12), 6250–6254.
mla: Darancet, Pierre, et al. “Quantitative Current–Voltage Characteristics in Molecular
Junctions from First Principles.” Nano Letters, vol. 12, no. 12, American
Chemical Society, 2012, pp. 6250–54, doi:10.1021/nl3033137.
short: P. Darancet, J.R. Widawsky, H.J. Choi, L. Venkataraman, J.B. Neaton, Nano
Letters 12 (2012) 6250–6254.
date_created: 2024-09-09T11:40:06Z
date_published: 2012-11-20T00:00:00Z
date_updated: 2025-01-03T08:56:21Z
day: '20'
doi: 10.1021/nl3033137
extern: '1'
external_id:
arxiv:
- '1212.0019'
fulldoi: https://doi.org/10.1021/nl3033137
intvolume: ' 12'
issue: '12'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1212.0019
month: '11'
oa: 1
oa_version: Preprint
page: 6250-6254
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: Quantitative current–voltage characteristics in molecular junctions from first
principles
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2012'
...
---
OA_type: closed access
_id: '18010'
abstract:
- lang: eng
text: Electronic factors in molecules such as quantum interference and cross-conjugation
can lead to dramatic modulation and suppression of conductance in single-molecule
junctions. Probing such effects at the single-molecule level requires simultaneous
measurements of independent junction properties, as conductance alone cannot provide
conclusive evidence of junction formation for molecules with low conductivity.
Here, we compare the mechanics of the conducting para-terminated 4,4′-di(methylthio)stilbene
and moderately conducting 1,2-bis(4-(methylthio)phenyl)ethane to that of insulating
meta-terminated 3,3′-di(methylthio)stilbene single-molecule junctions. We simultaneously
measure force and conductance across single-molecule junctions and use force signatures
to obtain independent evidence of junction formation and rupture in the meta-linked
cross-conjugated molecule even when no clear low-bias conductance is measured.
By separately quantifying conductance and mechanics, we identify the formation
of atypical 3,3′-di(methylthio)stilbene molecular junctions that are mechanically
stable but electronically decoupled. While theoretical studies have envisaged
many plausible systems where quantum interference might be observed, our experiments
provide the first direct quantitative study of the interplay between contact mechanics
and the distinctively quantum mechanical nature of electronic transport in single-molecule
junctions.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Sriharsha V.
full_name: Aradhya, Sriharsha V.
last_name: Aradhya
- first_name: Jeffrey S.
full_name: Meisner, Jeffrey S.
last_name: Meisner
- first_name: Markrete
full_name: Krikorian, Markrete
last_name: Krikorian
- first_name: Seokhoon
full_name: Ahn, Seokhoon
last_name: Ahn
- first_name: Radha
full_name: Parameswaran, Radha
last_name: Parameswaran
- 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: Aradhya SV, Meisner JS, Krikorian M, et al. Dissecting contact mechanics from
quantum interference in single-molecule junctions of stilbene derivatives. Nano
Letters. 2012;12(3):1643-1647. doi:10.1021/nl2045815
apa: Aradhya, S. V., Meisner, J. S., Krikorian, M., Ahn, S., Parameswaran, R., Steigerwald,
M. L., … Venkataraman, L. (2012). Dissecting contact mechanics from quantum interference
in single-molecule junctions of stilbene derivatives. Nano Letters. American
Chemical Society. https://doi.org/10.1021/nl2045815
chicago: Aradhya, Sriharsha V., Jeffrey S. Meisner, Markrete Krikorian, Seokhoon
Ahn, Radha Parameswaran, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman.
“Dissecting Contact Mechanics from Quantum Interference in Single-Molecule Junctions
of Stilbene Derivatives.” Nano Letters. American Chemical Society, 2012.
https://doi.org/10.1021/nl2045815.
ieee: S. V. Aradhya et al., “Dissecting contact mechanics from quantum interference
in single-molecule junctions of stilbene derivatives,” Nano Letters, vol.
12, no. 3. American Chemical Society, pp. 1643–1647, 2012.
ista: Aradhya SV, Meisner JS, Krikorian M, Ahn S, Parameswaran R, Steigerwald ML,
Nuckolls C, Venkataraman L. 2012. Dissecting contact mechanics from quantum interference
in single-molecule junctions of stilbene derivatives. Nano Letters. 12(3), 1643–1647.
mla: Aradhya, Sriharsha V., et al. “Dissecting Contact Mechanics from Quantum Interference
in Single-Molecule Junctions of Stilbene Derivatives.” Nano Letters, vol.
12, no. 3, American Chemical Society, 2012, pp. 1643–47, doi:10.1021/nl2045815.
short: S.V. Aradhya, J.S. Meisner, M. Krikorian, S. Ahn, R. Parameswaran, M.L. Steigerwald,
C. Nuckolls, L. Venkataraman, Nano Letters 12 (2012) 1643–1647.
date_created: 2024-09-09T12:30:36Z
date_published: 2012-02-21T00:00:00Z
date_updated: 2025-01-03T09:18:13Z
day: '21'
doi: 10.1021/nl2045815
extern: '1'
external_id:
pmid:
- '22352939'
fulldoi: https://doi.org/10.1021/nl2045815
intvolume: ' 12'
issue: '3'
language:
- iso: eng
month: '02'
oa_version: None
page: 1643-1647
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: Dissecting contact mechanics from quantum interference in single-molecule junctions
of stilbene derivatives
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2012'
...
---
OA_type: closed access
_id: '18012'
abstract:
- lang: eng
text: We report the first concurrent determination of conductance (G) and thermopower
(S) of single-molecule junctions via direct measurement of electrical and thermoelectric
currents using a scanning tunneling microscope-based break-junction technique.
We explore several amine-Au and pyridine-Au linked molecules that are predicted
to conduct through either the highest occupied molecular orbital (HOMO) or the
lowest unoccupied molecular orbital (LUMO), respectively. We find that the Seebeck
coefficient is negative for pyridine-Au linked LUMO-conducting junctions and positive
for amine-Au linked HOMO-conducting junctions. Within the accessible temperature
gradients (<30 K), we do not observe a strong dependence of the junction Seebeck
coefficient on temperature. From histograms of thousands of junctions, we use
the most probable Seebeck coefficient to determine a power factor, GS2, for each
junction studied, and find that GS2 increases with G. Finally, we find that conductance
and Seebeck coefficient values are in good quantitative agreement with our self-energy
corrected density functional theory calculations.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Pierre
full_name: Darancet, Pierre
last_name: Darancet
- first_name: Jeffrey B.
full_name: Neaton, Jeffrey B.
last_name: Neaton
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Widawsky JR, Darancet P, Neaton JB, Venkataraman L. Simultaneous determination
of conductance and thermopower of single molecule junctions. Nano Letters.
2011;12(1):354-358. doi:10.1021/nl203634m
apa: Widawsky, J. R., Darancet, P., Neaton, J. B., & Venkataraman, L. (2011).
Simultaneous determination of conductance and thermopower of single molecule junctions.
Nano Letters. American Chemical Society. https://doi.org/10.1021/nl203634m
chicago: Widawsky, Jonathan R., Pierre Darancet, Jeffrey B. Neaton, and Latha Venkataraman.
“Simultaneous Determination of Conductance and Thermopower of Single Molecule
Junctions.” Nano Letters. American Chemical Society, 2011. https://doi.org/10.1021/nl203634m.
ieee: J. R. Widawsky, P. Darancet, J. B. Neaton, and L. Venkataraman, “Simultaneous
determination of conductance and thermopower of single molecule junctions,” Nano
Letters, vol. 12, no. 1. American Chemical Society, pp. 354–358, 2011.
ista: Widawsky JR, Darancet P, Neaton JB, Venkataraman L. 2011. Simultaneous determination
of conductance and thermopower of single molecule junctions. Nano Letters. 12(1),
354–358.
mla: Widawsky, Jonathan R., et al. “Simultaneous Determination of Conductance and
Thermopower of Single Molecule Junctions.” Nano Letters, vol. 12, no. 1,
American Chemical Society, 2011, pp. 354–58, doi:10.1021/nl203634m.
short: J.R. Widawsky, P. Darancet, J.B. Neaton, L. Venkataraman, Nano Letters 12
(2011) 354–358.
date_created: 2024-09-09T12:32:14Z
date_published: 2011-11-30T00:00:00Z
date_updated: 2025-01-03T09:26:26Z
day: '30'
doi: 10.1021/nl203634m
extern: '1'
external_id:
pmid:
- '22128800'
fulldoi: https://doi.org/10.1021/nl203634m
intvolume: ' 12'
issue: '1'
language:
- iso: eng
month: '11'
oa_version: None
page: 354-358
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: Simultaneous determination of conductance and thermopower of single molecule
junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2011'
...
---
OA_type: closed access
_id: '18017'
abstract:
- lang: eng
text: The conductance of individual 1,4-benzenediamine (BDA)–Au molecular junctions
is measured in different solvent environments using a scanning tunneling microscope
based point-contact technique. Solvents are found to increase the conductance
of these molecular junctions by as much as 50%. Using first principles calculations,
we explain this increase by showing that a shift in the Au contact work function
is induced by solvents binding to undercoordinated Au sites around the junction.
Increasing the Au contact work function reduces the separation between the Au
Fermi energy and the highest occupied molecular orbital of BDA in the junction,
increasing the measured conductance. We demonstrate that the solvent-induced shift
in conductance depends on the affinity of the solvent to Au binding sites and
also on the induced dipole (relative to BDA) upon adsorption. Via this mechanism,
molecular junction level alignment and transport properties can be statistically
altered by solvent molecule binding to the contact surface.
article_processing_charge: No
article_type: letter_note
author:
- first_name: V.
full_name: Fatemi, V.
last_name: Fatemi
- first_name: M.
full_name: Kamenetska, M.
last_name: Kamenetska
- first_name: J. B.
full_name: Neaton, J. B.
last_name: Neaton
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Fatemi V, Kamenetska M, Neaton JB, Venkataraman L. Environmental control of
single-molecule junction transport. Nano Letters. 2011;11(5):1988-1992.
doi:10.1021/nl200324e
apa: Fatemi, V., Kamenetska, M., Neaton, J. B., & Venkataraman, L. (2011). Environmental
control of single-molecule junction transport. Nano Letters. American Chemical
Society. https://doi.org/10.1021/nl200324e
chicago: Fatemi, V., M. Kamenetska, J. B. Neaton, and Latha Venkataraman. “Environmental
Control of Single-Molecule Junction Transport.” Nano Letters. American
Chemical Society, 2011. https://doi.org/10.1021/nl200324e.
ieee: V. Fatemi, M. Kamenetska, J. B. Neaton, and L. Venkataraman, “Environmental
control of single-molecule junction transport,” Nano Letters, vol. 11,
no. 5. American Chemical Society, pp. 1988–1992, 2011.
ista: Fatemi V, Kamenetska M, Neaton JB, Venkataraman L. 2011. Environmental control
of single-molecule junction transport. Nano Letters. 11(5), 1988–1992.
mla: Fatemi, V., et al. “Environmental Control of Single-Molecule Junction Transport.”
Nano Letters, vol. 11, no. 5, American Chemical Society, 2011, pp. 1988–92,
doi:10.1021/nl200324e.
short: V. Fatemi, M. Kamenetska, J.B. Neaton, L. Venkataraman, Nano Letters 11 (2011)
1988–1992.
date_created: 2024-09-09T12:35:47Z
date_published: 2011-04-18T00:00:00Z
date_updated: 2025-01-03T09:43:09Z
day: '18'
doi: 10.1021/nl200324e
extern: '1'
external_id:
pmid:
- '21500833'
fulldoi: https://doi.org/10.1021/nl200324e
intvolume: ' 11'
issue: '5'
language:
- iso: eng
month: '04'
oa_version: None
page: 1988-1992
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: Environmental control of single-molecule junction transport
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 11
year: '2011'
...
---
OA_type: closed access
_id: '18018'
abstract:
- lang: eng
text: Controlling electron transport through a single-molecule device is key to
the realization of nanoscale electronic components. A design requirement for single
molecule electrical devices is that the molecule must be both structurally and
electrically connected to the metallic electrodes. Typically, the mechanical and
electrical contacts are achieved by the same chemical moiety. In this study, we
demonstrate that the structural role may be played by one group (for example,
a sulfide) while the electrical role may be played by another (a conjugated chain
of C═C π-bonds). We can specify the electrical conductance through the molecule
by modulating to which particular site on the oligoene chain the electrode binds.
The result is a device that functions as a potentiometer at the single-molecule
level.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Jeffrey S.
full_name: Meisner, Jeffrey S.
last_name: Meisner
- first_name: Masha
full_name: Kamenetska, Masha
last_name: Kamenetska
- first_name: Markrete
full_name: Krikorian, Markrete
last_name: Krikorian
- first_name: Michael L.
full_name: Steigerwald, Michael 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: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Meisner JS, Kamenetska M, Krikorian M, Steigerwald ML, Venkataraman L, Nuckolls
C. A single-molecule potentiometer. Nano Letters. 2011;11(4):1575-1579.
doi:10.1021/nl104411f
apa: Meisner, J. S., Kamenetska, M., Krikorian, M., Steigerwald, M. L., Venkataraman,
L., & Nuckolls, C. (2011). A single-molecule potentiometer. Nano Letters.
American Chemical Society. https://doi.org/10.1021/nl104411f
chicago: Meisner, Jeffrey S., Masha Kamenetska, Markrete Krikorian, Michael L. Steigerwald,
Latha Venkataraman, and Colin Nuckolls. “A Single-Molecule Potentiometer.” Nano
Letters. American Chemical Society, 2011. https://doi.org/10.1021/nl104411f.
ieee: J. S. Meisner, M. Kamenetska, M. Krikorian, M. L. Steigerwald, L. Venkataraman,
and C. Nuckolls, “A single-molecule potentiometer,” Nano Letters, vol.
11, no. 4. American Chemical Society, pp. 1575–1579, 2011.
ista: Meisner JS, Kamenetska M, Krikorian M, Steigerwald ML, Venkataraman L, Nuckolls
C. 2011. A single-molecule potentiometer. Nano Letters. 11(4), 1575–1579.
mla: Meisner, Jeffrey S., et al. “A Single-Molecule Potentiometer.” Nano Letters,
vol. 11, no. 4, American Chemical Society, 2011, pp. 1575–79, doi:10.1021/nl104411f.
short: J.S. Meisner, M. Kamenetska, M. Krikorian, M.L. Steigerwald, L. Venkataraman,
C. Nuckolls, Nano Letters 11 (2011) 1575–1579.
date_created: 2024-09-09T12:36:26Z
date_published: 2011-03-17T00:00:00Z
date_updated: 2025-01-03T09:45:24Z
day: '17'
doi: 10.1021/nl104411f
extern: '1'
external_id:
pmid:
- '21413779'
fulldoi: https://doi.org/10.1021/nl104411f
intvolume: ' 11'
issue: '4'
language:
- iso: eng
month: '03'
oa_version: None
page: 1575-1579
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: A single-molecule potentiometer
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 11
year: '2011'
...
---
OA_type: closed access
_id: '18019'
abstract:
- lang: eng
text: We simultaneously measure conductance and force across nanoscale junctions.
A new, two-dimensional histogram technique is introduced to statistically extract
bond rupture forces from a large data set of individual junction elongation traces.
For the case of Au point contacts, we find a rupture force of 1.4 ± 0.2 nN, which
is in good agreement with previous measurements. We then study systematic trends
for single gold metal−molecule−metal junctions for a series of molecules terminated
with amine and pyridine linkers. For all molecules studied, single molecule junctions
rupture at the Au−N bond. Selective binding of the linker group allows us to correlate
the N−Au bond-rupture force to the molecular backbone. We find that the rupture
force ranges from 0.8 nN for 4,4′ bipyridine to 0.5 nN in 1,4 diaminobenzene.
These experimental results are in excellent quantitative agreement with density
functional theory based adiabatic molecular junction elongation and rupture calculations.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Michael
full_name: Frei, Michael
last_name: Frei
- first_name: Sriharsha V.
full_name: Aradhya, Sriharsha V.
last_name: Aradhya
- first_name: Max
full_name: Koentopp, Max
last_name: Koentopp
- 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: 'Frei M, Aradhya SV, Koentopp M, Hybertsen MS, Venkataraman L. Mechanics and
chemistry: Single molecule bond rupture forces correlate with molecular backbone
structure. Nano Letters. 2011;11(4):1518-1523. doi:10.1021/nl1042903'
apa: 'Frei, M., Aradhya, S. V., Koentopp, M., Hybertsen, M. S., & Venkataraman,
L. (2011). Mechanics and chemistry: Single molecule bond rupture forces correlate
with molecular backbone structure. Nano Letters. American Chemical Society.
https://doi.org/10.1021/nl1042903'
chicago: 'Frei, Michael, Sriharsha V. Aradhya, Max Koentopp, Mark S. Hybertsen,
and Latha Venkataraman. “Mechanics and Chemistry: Single Molecule Bond Rupture
Forces Correlate with Molecular Backbone Structure.” Nano Letters. American
Chemical Society, 2011. https://doi.org/10.1021/nl1042903.'
ieee: 'M. Frei, S. V. Aradhya, M. Koentopp, M. S. Hybertsen, and L. Venkataraman,
“Mechanics and chemistry: Single molecule bond rupture forces correlate with molecular
backbone structure,” Nano Letters, vol. 11, no. 4. American Chemical Society,
pp. 1518–1523, 2011.'
ista: 'Frei M, Aradhya SV, Koentopp M, Hybertsen MS, Venkataraman L. 2011. Mechanics
and chemistry: Single molecule bond rupture forces correlate with molecular backbone
structure. Nano Letters. 11(4), 1518–1523.'
mla: 'Frei, Michael, et al. “Mechanics and Chemistry: Single Molecule Bond Rupture
Forces Correlate with Molecular Backbone Structure.” Nano Letters, vol.
11, no. 4, American Chemical Society, 2011, pp. 1518–23, doi:10.1021/nl1042903.'
short: M. Frei, S.V. Aradhya, M. Koentopp, M.S. Hybertsen, L. Venkataraman, Nano
Letters 11 (2011) 1518–1523.
date_created: 2024-09-09T12:37:10Z
date_published: 2011-03-02T00:00:00Z
date_updated: 2025-01-03T09:47:07Z
day: '02'
doi: 10.1021/nl1042903
extern: '1'
external_id:
pmid:
- '21366230'
fulldoi: https://doi.org/10.1021/nl1042903
intvolume: ' 11'
issue: '4'
language:
- iso: eng
month: '03'
oa_version: None
page: 1518-1523
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: 'Mechanics and chemistry: Single molecule bond rupture forces correlate with
molecular backbone structure'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 11
year: '2011'
...
---
OA_place: repository
OA_type: green
_id: '18024'
abstract:
- lang: eng
text: Using photoemission spectroscopy, we determine the relationship between electronic
energy level alignment at a metal−molecule interface and single-molecule junction
transport data. We measure the position of the highest occupied molecular orbital
(HOMO) relative to the Au metal Fermi level for three 1,4-benzenediamine derivatives
on Au(111) and Au(110) with ultraviolet and resonant X-ray photoemission spectroscopy.
We compare these results to scanning tunnelling microscope-based break-junction
measurements of single molecule conductance and to first-principles calculations.
We find that the energy difference between the HOMO and Fermi level for the three
molecules adsorbed on Au(111) correlate well with changes in conductance and agree
well with quasiparticle energies computed from first-principles calculations incorporating
self-energy corrections. On the Au(110) that presents Au atoms with lower-coordination,
critical in break-junction conductance measurements, we see that the HOMO level
shifts further from the Fermi level. These results provide the first direct comparison
of spectroscopic energy level alignment measurements with single molecule junction
transport data.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: M.
full_name: Dell’Angela, M.
last_name: Dell’Angela
- first_name: G.
full_name: Kladnik, G.
last_name: Kladnik
- first_name: A.
full_name: Cossaro, A.
last_name: Cossaro
- first_name: A.
full_name: Verdini, A.
last_name: Verdini
- first_name: M.
full_name: Kamenetska, M.
last_name: Kamenetska
- first_name: I.
full_name: Tamblyn, I.
last_name: Tamblyn
- first_name: S. Y.
full_name: Quek, S. Y.
last_name: Quek
- first_name: J. B.
full_name: Neaton, J. B.
last_name: Neaton
- first_name: D.
full_name: Cvetko, D.
last_name: Cvetko
- first_name: A.
full_name: Morgante, A.
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: Dell’Angela M, Kladnik G, Cossaro A, et al. Relating energy level alignment
and amine-linked single molecule junction conductance. Nano Letters. 2010;10(7):2470-2474.
doi:10.1021/nl100817h
apa: Dell’Angela, M., Kladnik, G., Cossaro, A., Verdini, A., Kamenetska, M., Tamblyn,
I., … Venkataraman, L. (2010). Relating energy level alignment and amine-linked
single molecule junction conductance. Nano Letters. American Chemical Society.
https://doi.org/10.1021/nl100817h
chicago: Dell’Angela, M., G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I.
Tamblyn, S. Y. Quek, et al. “Relating Energy Level Alignment and Amine-Linked
Single Molecule Junction Conductance.” Nano Letters. American Chemical
Society, 2010. https://doi.org/10.1021/nl100817h.
ieee: M. Dell’Angela et al., “Relating energy level alignment and amine-linked
single molecule junction conductance,” Nano Letters, vol. 10, no. 7. American
Chemical Society, pp. 2470–2474, 2010.
ista: Dell’Angela M, Kladnik G, Cossaro A, Verdini A, Kamenetska M, Tamblyn I, Quek
SY, Neaton JB, Cvetko D, Morgante A, Venkataraman L. 2010. Relating energy level
alignment and amine-linked single molecule junction conductance. Nano Letters.
10(7), 2470–2474.
mla: Dell’Angela, M., et al. “Relating Energy Level Alignment and Amine-Linked Single
Molecule Junction Conductance.” Nano Letters, vol. 10, no. 7, American
Chemical Society, 2010, pp. 2470–74, doi:10.1021/nl100817h.
short: M. Dell’Angela, G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I. Tamblyn,
S.Y. Quek, J.B. Neaton, D. Cvetko, A. Morgante, L. Venkataraman, Nano Letters
10 (2010) 2470–2474.
date_created: 2024-09-09T13:00:09Z
date_published: 2010-06-25T00:00:00Z
date_updated: 2025-01-03T10:03:22Z
day: '25'
doi: 10.1021/nl100817h
extern: '1'
external_id:
arxiv:
- '1006.4187'
fulldoi: https://doi.org/10.1021/nl100817h
intvolume: ' 10'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1006.4187
month: '06'
oa: 1
oa_version: Preprint
page: 2470-2474
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: Relating energy level alignment and amine-linked single molecule junction conductance
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2010'
...
---
_id: '13416'
abstract:
- lang: eng
text: The reversible molecular template-directed self-assembly of gold nanoparticles
(AuNPs), a process which relies solely on noncovalent bonding interactions, has
been demonstrated by high-resolution transmission electron microscopy (HR-TEM).
By employing a well-known host−guest binding motif, the AuNPs have been systemized
into discrete dimers, trimers, and tetramers. These nanoparticulate twins, triplets,
and quadruplets, which can be disassembled and reassembled either chemically or
electrochemically, can be coalesced into larger, permanent polygonal structures
by thermal treatment using a focused HR-TEM electron beam.
article_processing_charge: No
article_type: original
author:
- first_name: Mark A.
full_name: Olson, Mark A.
last_name: Olson
- first_name: Ali
full_name: Coskun, Ali
last_name: Coskun
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
- first_name: Lei
full_name: Fang, Lei
last_name: Fang
- first_name: Sanjeev K.
full_name: Dey, Sanjeev K.
last_name: Dey
- first_name: Kevin P.
full_name: Browne, Kevin P.
last_name: Browne
- first_name: Bartosz A.
full_name: Grzybowski, Bartosz A.
last_name: Grzybowski
- first_name: J. Fraser
full_name: Stoddart, J. Fraser
last_name: Stoddart
citation:
ama: Olson MA, Coskun A, Klajn R, et al. Assembly of polygonal nanoparticle clusters
directed by reversible noncovalent bonding interactions. Nano Letters.
2009;9(9):3185-3190. doi:10.1021/nl901385c
apa: Olson, M. A., Coskun, A., Klajn, R., Fang, L., Dey, S. K., Browne, K. P., …
Stoddart, J. F. (2009). Assembly of polygonal nanoparticle clusters directed by
reversible noncovalent bonding interactions. Nano Letters. American Chemical
Society. https://doi.org/10.1021/nl901385c
chicago: Olson, Mark A., Ali Coskun, Rafal Klajn, Lei Fang, Sanjeev K. Dey, Kevin
P. Browne, Bartosz A. Grzybowski, and J. Fraser Stoddart. “Assembly of Polygonal
Nanoparticle Clusters Directed by Reversible Noncovalent Bonding Interactions.”
Nano Letters. American Chemical Society, 2009. https://doi.org/10.1021/nl901385c.
ieee: M. A. Olson et al., “Assembly of polygonal nanoparticle clusters directed
by reversible noncovalent bonding interactions,” Nano Letters, vol. 9,
no. 9. American Chemical Society, pp. 3185–3190, 2009.
ista: Olson MA, Coskun A, Klajn R, Fang L, Dey SK, Browne KP, Grzybowski BA, Stoddart
JF. 2009. Assembly of polygonal nanoparticle clusters directed by reversible noncovalent
bonding interactions. Nano Letters. 9(9), 3185–3190.
mla: Olson, Mark A., et al. “Assembly of Polygonal Nanoparticle Clusters Directed
by Reversible Noncovalent Bonding Interactions.” Nano Letters, vol. 9,
no. 9, American Chemical Society, 2009, pp. 3185–90, doi:10.1021/nl901385c.
short: M.A. Olson, A. Coskun, R. Klajn, L. Fang, S.K. Dey, K.P. Browne, B.A. Grzybowski,
J.F. Stoddart, Nano Letters 9 (2009) 3185–3190.
date_created: 2023-08-01T10:29:27Z
date_published: 2009-09-09T00:00:00Z
date_updated: 2023-08-08T08:57:34Z
day: '09'
doi: 10.1021/nl901385c
extern: '1'
external_id:
pmid:
- '19694461'
fulldoi: https://doi.org/10.1021/nl901385c
intvolume: ' 9'
issue: '9'
keyword:
- Mechanical Engineering
- Condensed Matter Physics
- General Materials Science
- General Chemistry
- Bioengineering
language:
- iso: eng
month: '09'
oa_version: None
page: 3185-3190
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: Assembly of polygonal nanoparticle clusters directed by reversible noncovalent
bonding interactions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 9
year: '2009'
...
---
OA_place: repository
OA_type: green
_id: '18037'
abstract:
- lang: eng
text: A combination of theory and experiment is used to quantitatively understand
the conductance of single-molecule benzenediamine−gold junctions. A newly developed
analysis is applied to a measured junction conductance distribution, based on
59 000 individual conductance traces, which has a clear peak at 0.0064 G0 and
a width of ±47%. This analysis establishes that the distribution width originates
predominantly from variations in conductance across different junctions rather
than variations in conductance during junction elongation. Conductance calculations
based on density functional theory (DFT) for 15 distinct junction geometries show
a similar spread. We show explicitly that differences in local structure have
a limited influence on conductance because the amine−Au bonding motif is well-defined
and flexible, explaining the narrow distributions seen in the experiments. The
minimal impact of junction structure on conductance permits an unambiguous comparison
of calculated and measured conductance values and a direct assessment of the widely
used DFT theoretical framework. The average calculated conductance (0.046 G0)
is found to be seven times larger than experiment. This discrepancy is explained
quantitatively in terms of electron correlation effects to the molecular level
alignments in the junction.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Su Ying
full_name: Quek, Su Ying
last_name: Quek
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Hyoung Joon
full_name: Choi, Hyoung Joon
last_name: Choi
- first_name: Steven G.
full_name: Louie, Steven G.
last_name: Louie
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: J. B.
full_name: Neaton, J. B.
last_name: Neaton
citation:
ama: Quek SY, Venkataraman L, Choi HJ, Louie SG, Hybertsen MS, Neaton JB. Amine−gold
linked single-molecule circuits: Experiment and theory. Nano Letters.
2007;7(11):3477-3482. doi:10.1021/nl072058i
apa: Quek, S. Y., Venkataraman, L., Choi, H. J., Louie, S. G., Hybertsen, M. S.,
& Neaton, J. B. (2007). Amine−gold linked single-molecule circuits: Experiment
and theory. Nano Letters. American Chemical Society. https://doi.org/10.1021/nl072058i
chicago: Quek, Su Ying, Latha Venkataraman, Hyoung Joon Choi, Steven G. Louie, Mark
S. Hybertsen, and J. B. Neaton. “Amine−gold Linked Single-Molecule Circuits:
Experiment and Theory.” Nano Letters. American Chemical Society, 2007.
https://doi.org/10.1021/nl072058i.
ieee: S. Y. Quek, L. Venkataraman, H. J. Choi, S. G. Louie, M. S. Hybertsen, and
J. B. Neaton, “Amine−gold linked single-molecule circuits: Experiment and theory,”
Nano Letters, vol. 7, no. 11. American Chemical Society, pp. 3477–3482,
2007.
ista: Quek SY, Venkataraman L, Choi HJ, Louie SG, Hybertsen MS, Neaton JB. 2007.
Amine−gold linked single-molecule circuits: Experiment and theory. Nano Letters.
7(11), 3477–3482.
mla: Quek, Su Ying, et al. “Amine−gold Linked Single-Molecule Circuits: Experiment
and Theory.” Nano Letters, vol. 7, no. 11, American Chemical Society, 2007,
pp. 3477–82, doi:10.1021/nl072058i.
short: S.Y. Quek, L. Venkataraman, H.J. Choi, S.G. Louie, M.S. Hybertsen, J.B. Neaton,
Nano Letters 7 (2007) 3477–3482.
date_created: 2024-09-09T14:52:18Z
date_published: 2007-09-27T00:00:00Z
date_updated: 2025-01-03T11:04:27Z
day: '27'
doi: 10.1021/nl072058i
extern: '1'
external_id:
arxiv:
- '0707.2091'
pmid:
- '17900162'
fulldoi: https://doi.org/10.1021/nl072058i
intvolume: ' 7'
issue: '11'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/0707.2091
month: '09'
oa: 1
oa_version: Preprint
page: 3477-3482
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: Amine−gold linked single-molecule circuits: Experiment and theory
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 7
year: '2007'
...
---
OA_place: repository
OA_type: green
_id: '18040'
abstract:
- lang: eng
text: We measure the low bias conductance of a series of substituted benzene diamine
molecules while breaking a gold point contact in a solution of the molecules.
Transport through these substituted benzenes is by means of nonresonant tunneling
or superexchange, with the molecular junction conductance depending on the alignment
of the metal Fermi level to the closest molecular level. Electron-donating substituents,
which drive the occupied molecular orbitals up, increase the junction conductance,
while electron-withdrawing substituents have the opposite effect. Thus for the
measured series, conductance varies inversely with the calculated ionization potential
of the molecules. These results reveal that the occupied states are closest to
the gold Fermi energy, indicating that the tunneling transport through these molecules
is analogous to hole tunneling through an insulating film.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Young S.
full_name: Park, Young S.
last_name: Park
- first_name: Adam C.
full_name: Whalley, Adam C.
last_name: Whalley
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
citation:
ama: Venkataraman L, Park YS, Whalley AC, Nuckolls C, Hybertsen MS, Steigerwald
ML. Electronics and dhemistry: Varying single-molecule junction conductance using
chemical substituents. Nano Letters. 2007;7(2):502-506. doi:10.1021/nl062923j
apa: Venkataraman, L., Park, Y. S., Whalley, A. C., Nuckolls, C., Hybertsen, M.
S., & Steigerwald, M. L. (2007). Electronics and dhemistry: Varying single-molecule
junction conductance using chemical substituents. Nano Letters. American
Chemical Society. https://doi.org/10.1021/nl062923j
chicago: Venkataraman, Latha, Young S. Park, Adam C. Whalley, Colin Nuckolls, Mark
S. Hybertsen, and Michael L. Steigerwald. “Electronics and Dhemistry: Varying
Single-Molecule Junction Conductance Using Chemical Substituents.” Nano Letters.
American Chemical Society, 2007. https://doi.org/10.1021/nl062923j.
ieee: L. Venkataraman, Y. S. Park, A. C. Whalley, C. Nuckolls, M. S. Hybertsen,
and M. L. Steigerwald, “Electronics and dhemistry: Varying single-molecule junction
conductance using chemical substituents,” Nano Letters, vol. 7, no. 2.
American Chemical Society, pp. 502–506, 2007.
ista: Venkataraman L, Park YS, Whalley AC, Nuckolls C, Hybertsen MS, Steigerwald
ML. 2007. Electronics and dhemistry: Varying single-molecule junction conductance
using chemical substituents. Nano Letters. 7(2), 502–506.
mla: Venkataraman, Latha, et al. “Electronics and Dhemistry: Varying Single-Molecule
Junction Conductance Using Chemical Substituents.” Nano Letters, vol. 7,
no. 2, American Chemical Society, 2007, pp. 502–06, doi:10.1021/nl062923j.
short: L. Venkataraman, Y.S. Park, A.C. Whalley, C. Nuckolls, M.S. Hybertsen, M.L.
Steigerwald, Nano Letters 7 (2007) 502–506.
date_created: 2024-09-09T15:06:38Z
date_published: 2007-01-25T00:00:00Z
date_updated: 2025-01-03T11:11:01Z
day: '25'
doi: 10.1021/nl062923j
extern: '1'
external_id:
arxiv:
- cond-mat/0703446
pmid:
- '17253760'
fulldoi: https://doi.org/10.1021/nl062923j
intvolume: ' 7'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/cond-mat/0703446
month: '01'
oa: 1
oa_version: Preprint
page: 502-506
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: Electronics and dhemistry: Varying single-molecule junction conductance using
chemical substituents
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 7
year: '2007'
...
---
OA_place: repository
OA_type: green
_id: '18043'
abstract:
- lang: eng
text: We measure the conductance of amine-terminated molecules by breaking Au point
contacts in a molecular solution at room temperature. We find that the variability
of the observed conductance for the diamine molecule−Au junctions is much less
than the variability for diisonitrile− and dithiol−Au junctions. This narrow distribution
enables unambiguous conductance measurements of single molecules. For an alkane
diamine series with 2−8 carbon atoms in the hydrocarbon chain, our results show
a systematic trend in the conductance from which we extract a tunneling decay
constant of 0.91 ± 0.03 per methylene group. We hypothesize that the diamine link
binds preferentially to undercoordinated Au atoms in the junction. This is supported
by density functional theory-based calculations that show the amine binding to
a gold adatom with sufficient angular flexibility for easy junction formation
but well-defined electronic coupling of the N lone pair to the Au. Therefore,
the amine linkage leads to well-defined conductance measurements of a single molecule
junction in a statistical study.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Jennifer E.
full_name: Klare, Jennifer E.
last_name: Klare
- first_name: Iris W.
full_name: Tam, Iris W.
last_name: Tam
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
citation:
ama: Venkataraman L, Klare JE, Tam IW, Nuckolls C, Hybertsen MS, Steigerwald ML.
Single-molecule circuits with well-defined molecular conductance. Nano Letters.
2006;6(3):458-462. doi:10.1021/nl052373+
apa: Venkataraman, L., Klare, J. E., Tam, I. W., Nuckolls, C., Hybertsen, M. S.,
& Steigerwald, M. L. (2006). Single-molecule circuits with well-defined molecular
conductance. Nano Letters. American Chemical Society. https://doi.org/10.1021/nl052373+
chicago: Venkataraman, Latha, Jennifer E. Klare, Iris W. Tam, Colin Nuckolls, Mark
S. Hybertsen, and Michael L. Steigerwald. “Single-Molecule Circuits with Well-Defined
Molecular Conductance.” Nano Letters. American Chemical Society, 2006.
https://doi.org/10.1021/nl052373+.
ieee: L. Venkataraman, J. E. Klare, I. W. Tam, C. Nuckolls, M. S. Hybertsen, and
M. L. Steigerwald, “Single-molecule circuits with well-defined molecular conductance,”
Nano Letters, vol. 6, no. 3. American Chemical Society, pp. 458–462, 2006.
ista: Venkataraman L, Klare JE, Tam IW, Nuckolls C, Hybertsen MS, Steigerwald ML.
2006. Single-molecule circuits with well-defined molecular conductance. Nano Letters.
6(3), 458–462.
mla: Venkataraman, Latha, et al. “Single-Molecule Circuits with Well-Defined Molecular
Conductance.” Nano Letters, vol. 6, no. 3, American Chemical Society, 2006,
pp. 458–62, doi:10.1021/nl052373+.
short: L. Venkataraman, J.E. Klare, I.W. Tam, C. Nuckolls, M.S. Hybertsen, M.L.
Steigerwald, Nano Letters 6 (2006) 458–462.
date_created: 2024-09-09T15:09:24Z
date_published: 2006-02-01T00:00:00Z
date_updated: 2025-01-03T11:19:52Z
day: '01'
doi: 10.1021/nl052373+
extern: '1'
external_id:
arxiv:
- cond-mat/0603281
fulldoi: https://doi.org/10.1021/nl052373+
intvolume: ' 6'
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/cond-mat/0603281
month: '02'
oa: 1
oa_version: Preprint
page: 458-462
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: Single-molecule circuits with well-defined molecular conductance
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 6
year: '2006'
...