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Theory of electron transport through single molecules

Research output: ThesisDoctoral Thesis

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Theory of electron transport through single molecules. / Al-Jobory, Alaa.

Lancaster : Lancaster University, 2018. 161 p.

Research output: ThesisDoctoral Thesis

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Al-Jobory, Alaa. / Theory of electron transport through single molecules. Lancaster : Lancaster University, 2018. 161 p.

Bibtex

@phdthesis{0f3afd05f11c488eaabedd86d9b19fcc,
title = "Theory of electron transport through single molecules",
abstract = "The theoretical work carried out in this thesis presents the electrical properties of two different types of two terminal nanojunctions: one dealing with gold electrodes which form gold|molecule|gold structures and the other has carbon nanotube (CNT) electrodes forming CNT|molecule|CNT junctions. The theoretical tools employed are firstly, density functional theory (DFT). Chapter 2 presents an introduction to the theoretical concept of DFT and in this work the implemented version used, namely the SIESTA code. The second tool is the quantum transport code GOLLUM. To introduce this technique in Chapter 3, I present solutions of Green{\textquoteright}s functions for infinite and semi-infinite chains and the transmission ",
author = "Alaa Al-Jobory",
year = "2018",
doi = "10.17635/lancaster/thesis/203",
language = "English",
publisher = "Lancaster University",
school = "Lancaster University",

}

RIS

TY - THES

T1 - Theory of electron transport through single molecules

AU - Al-Jobory, Alaa

PY - 2018

Y1 - 2018

N2 - The theoretical work carried out in this thesis presents the electrical properties of two different types of two terminal nanojunctions: one dealing with gold electrodes which form gold|molecule|gold structures and the other has carbon nanotube (CNT) electrodes forming CNT|molecule|CNT junctions. The theoretical tools employed are firstly, density functional theory (DFT). Chapter 2 presents an introduction to the theoretical concept of DFT and in this work the implemented version used, namely the SIESTA code. The second tool is the quantum transport code GOLLUM. To introduce this technique in Chapter 3, I present solutions of Green’s functions for infinite and semi-infinite chains and the transmission 

AB - The theoretical work carried out in this thesis presents the electrical properties of two different types of two terminal nanojunctions: one dealing with gold electrodes which form gold|molecule|gold structures and the other has carbon nanotube (CNT) electrodes forming CNT|molecule|CNT junctions. The theoretical tools employed are firstly, density functional theory (DFT). Chapter 2 presents an introduction to the theoretical concept of DFT and in this work the implemented version used, namely the SIESTA code. The second tool is the quantum transport code GOLLUM. To introduce this technique in Chapter 3, I present solutions of Green’s functions for infinite and semi-infinite chains and the transmission 

U2 - 10.17635/lancaster/thesis/203

DO - 10.17635/lancaster/thesis/203

M3 - Doctoral Thesis

PB - Lancaster University

CY - Lancaster

ER -