-
1
-
-
0000971624
-
Thermopower of Atomic-Size Metallic Contacts
-
Ludoph, B.; van Ruitenbeek, J. M. Thermopower of Atomic-Size Metallic Contacts. Phys. Rev. B 1999, 59, 12290-12293.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 12290-12293
-
-
Ludoph, B.1
van Ruitenbeek, J.M.2
-
2
-
-
33947412649
-
-
Reddy, P.; Jang, S. Y.; Segalman, R. A.; Majumdar, A. Thermoelectricity in Molecular Junctions. Science 2007, 315, 1568-1571.
-
Reddy, P.; Jang, S. Y.; Segalman, R. A.; Majumdar, A. Thermoelectricity in Molecular Junctions. Science 2007, 315, 1568-1571.
-
-
-
-
3
-
-
40449117420
-
Probing the Chemistry of Molecular Heterojunctions Using Thermoelectricity
-
Baheti, K.; Malen, J. A.; Doak, P.; Reddy, P.; Jang, S. Y.; Tilley, T. D.; Majumdar, A.; Segalman, R. A. Probing the Chemistry of Molecular Heterojunctions Using Thermoelectricity. Nano Lett. 2008, 8, 715-719.
-
(2008)
Nano Lett
, vol.8
, pp. 715-719
-
-
Baheti, K.1
Malen, J.A.2
Doak, P.3
Reddy, P.4
Jang, S.Y.5
Tilley, T.D.6
Majumdar, A.7
Segalman, R.A.8
-
4
-
-
65249085776
-
Identifying the Length Dependence of Orbital Alignment and Contact Coupling in Molecular Heterojunctions
-
Malen, J. A.; Doak, P.; Baheti, K.; Tilley, T. D.; Segalman, R. A.; Majumdar, A. Identifying the Length Dependence of Orbital Alignment and Contact Coupling in Molecular Heterojunctions. Nano Lett. 2009, 9, 1164-1169.
-
(2009)
Nano Lett
, vol.9
, pp. 1164-1169
-
-
Malen, J.A.1
Doak, P.2
Baheti, K.3
Tilley, T.D.4
Segalman, R.A.5
Majumdar, A.6
-
5
-
-
0042529199
-
Thermoelectric Effect in Molecular Electronics
-
Paulsson, M.; Datta, S. Thermoelectric Effect in Molecular Electronics. Phys. Rev. B 2003, 67, 241403(R).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 241403
-
-
Paulsson, M.1
Datta, S.2
-
6
-
-
9744266730
-
Thermoelectric Transport Properties in Atomic Scale Conductors
-
Zheng, X.; Zheng, W.; Wei, Y.; Zeng, Z.; Wang, J. Thermoelectric Transport Properties in Atomic Scale Conductors. J. Chem. Phys. 2004, 121, 8537-8541.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 8537-8541
-
-
Zheng, X.1
Zheng, W.2
Wei, Y.3
Zeng, Z.4
Wang, J.5
-
7
-
-
28344455612
-
Oscillatory Thermopower of Carbon Chains: First-Principles Calculations
-
Wang, B.; Xing, Y.; Wan, L.; Wei, Y.; Wang, J. Oscillatory Thermopower of Carbon Chains: First-Principles Calculations. Phys. Rev. B 2005, 71, 233406.
-
(2005)
Phys. Rev. B
, vol.71
, pp. 233406
-
-
Wang, B.1
Xing, Y.2
Wan, L.3
Wei, Y.4
Wang, J.5
-
8
-
-
42249105875
-
Inelastic Effects in Molecular Junction Transport: Scattering and Self-Consistent Calculations for the Seebeck Coefficient
-
Galperin, M.; Nitzan, A.; Ratner, M. A. Inelastic Effects in Molecular Junction Transport: Scattering and Self-Consistent Calculations for the Seebeck Coefficient. Mol. Phys. 2008, 106, 397-404.
-
(2008)
Mol. Phys
, vol.106
, pp. 397-404
-
-
Galperin, M.1
Nitzan, A.2
Ratner, M.A.3
-
9
-
-
47949099870
-
Length-Dependent Conductance and Thermopower in Single-Molecule Junctions of Dithiolated Oligophenylene Derivatives: A Density Functional Study
-
Pauly, F.; Viljas, J. K.; Cuevas, J. C. Length-Dependent Conductance and Thermopower in Single-Molecule Junctions of Dithiolated Oligophenylene Derivatives: A Density Functional Study. Phys. Rev. B 2008, 78, 035315.
-
(2008)
Phys. Rev. B
, vol.78
, pp. 035315
-
-
Pauly, F.1
Viljas, J.K.2
Cuevas, J.C.3
-
10
-
-
59249090719
-
Giant Thermopower and Figure of Merit in Single-Molecule Devices
-
Finch, C. M.; García-Suárez, V. M.; Lambert, C. J. Giant Thermopower and Figure of Merit in Single-Molecule Devices. Phys. Rev. B 2009, 79, 033405.
-
(2009)
Phys. Rev. B
, vol.79
, pp. 033405
-
-
Finch, C.M.1
García-Suárez, V.M.2
Lambert, C.J.3
-
11
-
-
60349115294
-
Electron and Phonon Transport in Silicon Nanowires: Atomistic Approach to Thermoelectric Properties
-
Markussen, T.; Jauho, A. P.; Brandbyge, M. Electron and Phonon Transport in Silicon Nanowires: Atomistic Approach to Thermoelectric Properties. Phys. Rev. B 2009, 79, 035415.
-
(2009)
Phys. Rev. B
, vol.79
, pp. 035415
-
-
Markussen, T.1
Jauho, A.P.2
Brandbyge, M.3
-
12
-
-
61749103858
-
Thermoelectric Effects in Nanoscale Junctions
-
Dubi, Y.; Di Ventra, M. Thermoelectric Effects in Nanoscale Junctions. Nano Lett. 2009, 9, 97-101.
-
(2009)
Nano Lett
, vol.9
, pp. 97-101
-
-
Dubi, Y.1
Di Ventra, M.2
-
13
-
-
65449146715
-
Thermopower of Molecular Junctions: An Ab Initio Study
-
Ke, S. H.; Yang, W.; Curtarolo, S.; Baranger, H. U. Thermopower of Molecular Junctions: An Ab Initio Study. Nano Lett. 2009, 9, 1011-1014.
-
(2009)
Nano Lett
, vol.9
, pp. 1011-1014
-
-
Ke, S.H.1
Yang, W.2
Curtarolo, S.3
Baranger, H.U.4
-
14
-
-
66749144768
-
Seebeck Coefficient of Thermoelectric Molecular Junctions: First-Principles Calculations
-
Liu, Y. S.; Chen, Y. C. Seebeck Coefficient of Thermoelectric Molecular Junctions: First-Principles Calculations. Phys. Rev. B 2009, 79, 193101.
-
(2009)
Phys. Rev. B
, vol.79
, pp. 193101
-
-
Liu, Y.S.1
Chen, Y.C.2
-
16
-
-
4244197929
-
Oscillatory Conductance of Carbon-Atom Wires
-
Lang, N. D.; Avouris, Ph. Oscillatory Conductance of Carbon-Atom Wires. Phys. Rev. Lett. 1998, 81, 3515-3518.
-
(1998)
Phys. Rev. Lett
, vol.81
, pp. 3515-3518
-
-
Lang, N.D.1
Avouris, P.2
-
17
-
-
0034664553
-
First-Principles Study of Electron Transport through Monatomic Al and Na Wires
-
Kobayashi, N.; Brandbyge, M.; Tsukada, M. First-Principles Study of Electron Transport through Monatomic Al and Na Wires. Phys. Rev. B 2000, 62, 8430-8437.
-
(2000)
Phys. Rev. B
, vol.62
, pp. 8430-8437
-
-
Kobayashi, N.1
Brandbyge, M.2
Tsukada, M.3
-
18
-
-
15744365007
-
Role of Heating and Current-Induced Forces in the Stability of Atomic Wires
-
Yang, Z.; Chshiev, M.; Zwolak, M.; Chen, Y. C.; Di Ventra, M. Role of Heating and Current-Induced Forces in the Stability of Atomic Wires. Phys. Rev. B 2005, 71, 041402(R).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 041402
-
-
Yang, Z.1
Chshiev, M.2
Zwolak, M.3
Chen, Y.C.4
Di Ventra, M.5
-
19
-
-
0032487214
-
Evolution of Conducting Channels in Metallic Atomic Contacts under Elastic Deformation
-
Cuevas, J. C.; Levy Yeyati, A.; Martfn-Rodero, A.; Bollinger, G. R.; Untiedt, C.; Agraït, N. Evolution of Conducting Channels in Metallic Atomic Contacts under Elastic Deformation. Phys. Rev. Lett. 1998, 81, 2990-2993.
-
(1998)
Phys. Rev. Lett
, vol.81
, pp. 2990-2993
-
-
Cuevas, J.C.1
Levy Yeyati, A.2
Martfn-Rodero, A.3
Bollinger, G.R.4
Untiedt, C.5
Agraït, N.6
-
20
-
-
0344110551
-
Mechanism of Electron Conduction in Self-Assembled Alkanethiol Monolayer Devices
-
Wang, W.; Lee, T.; Reed, M. A. Mechanism of Electron Conduction in Self-Assembled Alkanethiol Monolayer Devices. Phys. Rev. B 2003, 68, 035416.
-
(2003)
Phys. Rev. B
, vol.68
, pp. 035416
-
-
Wang, W.1
Lee, T.2
Reed, M.A.3
-
21
-
-
33947272067
-
-
Tao, N. J. Electron Transport in Molecular Junctions. Nat. Nanotechnol. 2006, 1, 173-181.
-
Tao, N. J. Electron Transport in Molecular Junctions. Nat. Nanotechnol. 2006, 1, 173-181.
-
-
-
-
22
-
-
0006235902
-
Thermal Transport through a Mesoscopic Weak Link
-
Patton, K. R.; Geller, M. R. Thermal Transport through a Mesoscopic Weak Link. Phys. Rev. B 2001, 64, 155320.
-
(2001)
Phys. Rev. B
, vol.64
, pp. 155320
-
-
Patton, K.R.1
Geller, M.R.2
-
23
-
-
73349098927
-
-
The aluminum junction consists of an Al atomic chain sandwiched between two Al electrodes modeled as electron jellium with rs ≈ 2. The following parameters have been used for the junctions: the Al-jellium distance is about 2.0 au; the Al-Al bond distances are 6.8, 6.3, and 5.8 au for 2-Al, 3-Al, and 4-Al wires, respectively; the effective cross section chosen is A, 23.1 au2 for the aluminum junction; the spectral densities of electrodes are evaluated using the longitudinal and transverse sound velocities for Al, Vi, 6.35 × 105 cm/sand v t, 3.1 × 105cm/s, respectively; the Young's modulus of aluminum junction, Y ≃ 1.2 × 1013 dyn/cm 2, has been calculated by total energy calculations for an atomic chain in perfect alignment. The Young's modulus has been found to be almost independent of the length of the junctions. We note that the value of the Young's
-
2, has been calculated by total energy calculations for an atomic chain in perfect alignment. The Young's modulus has been found to be almost independent of the length of the junctions. We note that the value of the Young's modulus may be overestimated in comparison with real experiments where the geometry of the atom chain may be zigzag.
-
-
-
-
24
-
-
73349140398
-
-
The arlkanethiol junction consists of a C4 molecule sandwiched between two Au electrodes modeled as electron jellium with rs ≈ 3. The structure of the C4molecule has been relaxed using Gaussian03. The Au-jellium distance is set to be one half of the spacing between atom planes in (1,1,1) direction see ref 30 for detailed description, The following parameters were used for the junctions: the effective cross section chosen is 21.4 au2 for alkanethiol junction; the spectral densities of electrodes have been evaluated using the longitudinal and transverse sound velocities for Au, vl, 3.2 × 105 cm/s and vt, 1.2 × 105 cm/s, respectively; the Young's modulus of alkanethiol junction, Y ≃ 2.3 × 10 12 dyn/cm2, has been calculated by total energy calculations
-
2, has been calculated by total energy calculations.
-
-
-
-
25
-
-
18144395825
-
Conduction Mechanism in a Molecular Hydrogen Contact
-
Thygesen, K. S.; Jacobsen, K. W. Conduction Mechanism in a Molecular Hydrogen Contact. Phys. Rev. Lett. 2005, 94, 036807.
-
(2005)
Phys. Rev. Lett
, vol.94
, pp. 036807
-
-
Thygesen, K.S.1
Jacobsen, K.W.2
-
26
-
-
0034832843
-
Fabrication and Characterization of Metal -Molecule-Metal Junctions by Conducting Probe Atomic Force Microscopy
-
Wold, D. J.; Frisbie, C. D. Fabrication and Characterization of Metal -Molecule-Metal Junctions by Conducting Probe Atomic Force Microscopy. J. Am. Chem. Soc. 2001, 123, 5549-5556.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 5549-5556
-
-
Wold, D.J.1
Frisbie, C.D.2
-
27
-
-
0037174406
-
Contact Resistance in Metal -Molecule-Metal Junctions Based on Aliphatic SAMs: Effects of Surface Linker and Metal Work Function
-
Beebe, J. M.; Engelkes, V. B.; Miller, L. L.; Frisbie, C. D. Contact Resistance in Metal -Molecule-Metal Junctions Based on Aliphatic SAMs: Effects of Surface Linker and Metal Work Function. J. Am. Chem. Soc. 2002, 124, 11268-11269.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 11268-11269
-
-
Beebe, J.M.1
Engelkes, V.B.2
Miller, L.L.3
Frisbie, C.D.4
-
28
-
-
0000029864
-
Formation of Nanopatterns of a Self-Assembled Monolayer (SAM) within a SAM of Different Molecules Using a Current Sensing Atomic Force Microscope
-
Zhao, J.; Uosaki, K. Formation of Nanopatterns of a Self-Assembled Monolayer (SAM) within a SAM of Different Molecules Using a Current Sensing Atomic Force Microscope. Nano Lett. 2002, 2, 137-140.
-
(2002)
Nano Lett
, vol.2
, pp. 137-140
-
-
Zhao, J.1
Uosaki, K.2
-
29
-
-
0345550404
-
Resistance of Alkanethiol Molecular Wires
-
Kaun, C. C.; Guo, H. Resistance of Alkanethiol Molecular Wires. Nano Lett. 2003, 3, 1521-1525.
-
(2003)
Nano Lett
, vol.3
, pp. 1521-1525
-
-
Kaun, C.C.1
Guo, H.2
-
30
-
-
57349136720
-
Alkanethiol-Based Single-Molecule Transistors
-
Ma, C. L.; Nghiem, D.; Chen, Y. C. Alkanethiol-Based Single-Molecule Transistors. Appl. Phys. Lett. 2008, 93, 222111.
-
(2008)
Appl. Phys. Lett
, vol.93
, pp. 222111
-
-
Ma, C.L.1
Nghiem, D.2
Chen, Y.C.3
-
32
-
-
0346101512
-
Local Heating in Nanoscale Conductors
-
Chen, Y. C.; Zwolak, M.; Di Ventra, M. Local Heating in Nanoscale Conductors. Nano Lett. 2003, 3, 1691-1694.
-
(2003)
Nano Lett
, vol.3
, pp. 1691-1694
-
-
Chen, Y.C.1
Zwolak, M.2
Di Ventra, M.3
-
33
-
-
4644363101
-
Inelastic Current-Voltage Characteristics of Atomic and Molecular Junctions
-
Chen, Y. C.; Zwolak, M.; Di Ventra, M. Inelastic Current-Voltage Characteristics of Atomic and Molecular Junctions. Nano Lett. 2004, 4, 1709-1712.
-
(2004)
Nano Lett
, vol.4
, pp. 1709-1712
-
-
Chen, Y.C.1
Zwolak, M.2
Di Ventra, M.3
-
34
-
-
25344463656
-
Resistance of Atomic Wires
-
Lang, N. D. Resistance of Atomic Wires. Phys. Rev. B 1995, 52, 5335-5342.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 5335-5342
-
-
Lang, N.D.1
-
35
-
-
0037081414
-
Transport in Nanoscale Conductors from First Principles
-
Di Ventra, M.; Lang, N. D. Transport in Nanoscale Conductors from First Principles. Phys. Rev. B 2001, 65, 045402.
-
(2001)
Phys. Rev. B
, vol.65
, pp. 045402
-
-
Di Ventra, M.1
Lang, N.D.2
-
36
-
-
28844438033
-
-
Chen, Y. C.; Di Ventra, M. Effect of Electron-Phonon Scattering on Shot Noise in Nanoscale Junctions. Phys. Rev. Lett. 2005, 95, 166802.
-
Chen, Y. C.; Di Ventra, M. Effect of Electron-Phonon Scattering on Shot Noise in Nanoscale Junctions. Phys. Rev. Lett. 2005, 95, 166802.
-
-
-
-
37
-
-
73349085436
-
-
2 for Al electrodes. More detailed descriptions can be found in ref22.
-
2 for Al electrodes. More detailed descriptions can be found in ref22.
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