scholarly journals First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

2012 ◽  
Vol 11 (1) ◽  
pp. 78-92 ◽  
Author(s):  
Branislav K. Nikolić ◽  
Kamal K. Saha ◽  
Troels Markussen ◽  
Kristian S. Thygesen
Keyword(s):  
Quantum Transport ◽  
Single Molecule ◽  
First Principles ◽  
Graphene Nanoribbon ◽  
Transport Modeling

scholarly journals First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

2018 ◽  
pp. 1-35 ◽  
Author(s):  
Branislav K. Nikolić ◽  
Kapildeb Dolui ◽  
Marko D. Petrović ◽  
Petr Plecháč ◽  
Troels Markussen ◽  
...  
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Magnetic Multilayers ◽  
Spin Transfer ◽  
Transport Modeling ◽  
Spin Orbit

First principles study of sarin nerve gas adsorption on graphene nanoribbon with single molecule resolution

2020 ◽  
Vol 28 ◽  
pp. 1985-1989
Author(s):  
Harmandar Kaur ◽  
Deep Kamal Kaur Randhawa ◽  
Mamta Khosla ◽  
R.K. Sarin
Keyword(s):  
Single Molecule ◽  
First Principles ◽  
Gas Adsorption ◽  
Graphene Nanoribbon ◽  
First Principles Study ◽  
Nerve Gas

Quantum Transport Modeling From First Principles

2013 ◽  
Vol 101 (2) ◽  
pp. 518-530 ◽  
Author(s):  
Jesse Maassen ◽  
Mohammed Harb ◽  
Vincent Michaud-Rioux ◽  
Yu Zhu ◽  
Hong Guo
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Transport Modeling

scholarly journals First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

2020 ◽  
pp. 499-533
Author(s):  
Branislav K. Nikolić ◽  
Kapildeb Dolui ◽  
Marko D. Petrović ◽  
Petr Plecháč ◽  
Troels Markussen ◽  
...  
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Magnetic Multilayers ◽  
Spin Transfer ◽  
Transport Modeling ◽  
Spin Orbit

First-Principles Calculations of Quantum Transport in Single Molecule

2006 ◽  
Vol 45 (3B) ◽  
pp. 2151-2153 ◽  
Author(s):  
Nobuhiko Kobayashi ◽  
Taisuke Ozaki ◽  
Katsunori Tagami ◽  
Masaru Tsukada ◽  
Kenji Hirose
Keyword(s):  
Quantum Transport ◽  
Single Molecule ◽  
First Principles ◽  
First Principles Calculations

scholarly journals Atomistic quantum transport modeling of metal-graphene nanoribbon heterojunctions

2010 ◽  
Vol 82 (16) ◽  
Author(s):  
I. Deretzis ◽  
G. Fiori ◽  
G. Iannaccone ◽  
A. La Magna
Keyword(s):  
Quantum Transport ◽  
Graphene Nanoribbon ◽  
Transport Modeling
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