Electronic structure, screening, and charging effects at a metal/organic tunneling junction: A first-principles study

D. Lamoen; P. Ballone; M. Parrinello

doi:10.1103/physrevb.54.5097

Electronic structure, screening, and charging effects at a metal/organic tunneling junction: A first-principles study

Physical Review B ◽

10.1103/physrevb.54.5097 ◽

1996 ◽

Vol 54 (7) ◽

pp. 5097-5105 ◽

Cited By ~ 31

Author(s):

D. Lamoen ◽

P. Ballone ◽

M. Parrinello

Keyword(s):

Electronic Structure ◽

First Principles ◽

Tunneling Junction ◽

First Principles Study ◽

Metal Organic

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Toward Control of the Metal−Organic Interfacial Electronic Structure in Molecular Electronics: A First-Principles Study on Self-Assembled Monolayers of π-Conjugated Molecules on Noble Metals

Nano Letters ◽

10.1021/nl0629106 ◽

2007 ◽

Vol 7 (4) ◽

pp. 932-940 ◽

Cited By ~ 212

Author(s):

Georg Heimel ◽

Lorenz Romaner ◽

Egbert Zojer ◽

Jean-Luc Brédas

Keyword(s):

Electronic Structure ◽

Molecular Electronics ◽

First Principles ◽

Noble Metals ◽

Self Assembled Monolayers ◽

Conjugated Molecules ◽

First Principles Study ◽

Interfacial Electronic Structure ◽

Assembled Monolayers ◽

Metal Organic

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Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

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First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

Computational Materials Science ◽

10.1016/j.commatsci.2011.10.042 ◽

2012 ◽

Vol 54 ◽

pp. 287-292 ◽

Cited By ~ 11

Author(s):

Xiao-Jun Chen ◽

Meng-Xue Zeng ◽

Ren-Nian Wang ◽

Zhou-Sheng Mo ◽

Bi-Yu Tang ◽

...

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure, sodium diffusion, and (de)intercalation in NASICON NaMR(MoO4)3 (M = Mg, Ni; R = Cr, Fe)

Ionics ◽

10.1007/s11581-021-04133-7 ◽

2021 ◽

Author(s):

Alexander Serdtsev ◽

Irina Kotova ◽

Nadezhda Medvedeva

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Sodium Diffusion

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First principles study on electronic structure and elastic properties of LaCd and LaHg

10.1063/1.4872850 ◽

2014 ◽

Author(s):

Hansa Devi ◽

Gitanjali Pagare ◽

S. S. Chouhan ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

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First-principles study of electronic structure of deformed carbon nanotubes

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2006.12.008 ◽

2007 ◽

Vol 8 (3) ◽

pp. 200-203 ◽

Cited By ~ 6

Author(s):

Kazuchika Iwami ◽

Hidekazu Goto ◽

Kikuji Hirose ◽

Tomoya Ono

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

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First-principles study of the thermodynamic properties and electronic structure of compounds from Hf–Ni phase system

Computational Materials Science ◽

10.1016/j.commatsci.2010.04.019 ◽

2010 ◽

Vol 49 (1) ◽

pp. 55-59 ◽

Cited By ~ 6

Author(s):

Jana Radaković ◽

Katarina Ćirić ◽

Jelena Belošević-Čavor ◽

Vasil Koteski

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Phase System ◽

First Principles Study

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First-principles study of the electronic structure of NaTaO3

Solid State Communications ◽

10.1016/s0038-1098(01)00353-2 ◽

2001 ◽

Vol 120 (4) ◽

pp. 137-140 ◽

Cited By ~ 21

Author(s):

Y.X. Wang ◽

W.L. Zhong ◽

C.L. Wang ◽

P.L. Zhang

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study

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First-principles study on the electronic structure and optical properties of Mn-doped NaNbO3

2015 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications (SPAWDA) ◽

10.1109/spawda.2015.7364445 ◽

2015 ◽

Author(s):

Shu-lan Zhou ◽

Xiao-dong Han ◽

Xian Zhao ◽

Xiang-ping Jiang

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Mn Doped

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First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

Theoretical Chemistry Accounts ◽

10.1007/s00214-017-2049-3 ◽

2017 ◽

Vol 136 (2) ◽

Cited By ~ 10

Author(s):

Jesús Muñiz ◽

Christian Celaya ◽

Ana Mejía-Ozuna ◽

Ana Karina Cuentas-Gallegos ◽

L. M. Mejía-Mendoza ◽

...

Keyword(s):

Electronic Structure ◽

Solid State ◽

First Principles ◽

First Principles Study ◽

Solid State Devices ◽

Carbon Substrates ◽

Structure Properties

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