Density Functional Theory Study of Electric Fields Effect on Gold Nanoparticles, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Shahsavari,Rozbeh (Supervisor)
Abstract
Unique properties of Gold at nanoscale have made it one of the most popular substances used in nanotechnology. The interaction of Gold and Thiolates is one of the most favorite fields of research. Extensive studies about this interaction have revealed the importance and usage of this system in future technology. Due to difficulties of experimentationat nanoscale, computer simulations arevery important. Although interatomic potentials lead to higher computational speeds, they have deficiencies in precise simulation of some phenomena. Ab-initio methods, such as density functional theory, provide powerful tools to increase the accuracy. In this research, the interaction of gold and thiolates...
Cataloging briefDensity Functional Theory Study of Electric Fields Effect on Gold Nanoparticles, M.Sc. Thesis Sharif University of Technology ; Khoei, Amir Reza (Supervisor) ; Shahsavari,Rozbeh (Supervisor)
Abstract
Unique properties of Gold at nanoscale have made it one of the most popular substances used in nanotechnology. The interaction of Gold and Thiolates is one of the most favorite fields of research. Extensive studies about this interaction have revealed the importance and usage of this system in future technology. Due to difficulties of experimentationat nanoscale, computer simulations arevery important. Although interatomic potentials lead to higher computational speeds, they have deficiencies in precise simulation of some phenomena. Ab-initio methods, such as density functional theory, provide powerful tools to increase the accuracy. In this research, the interaction of gold and thiolates...
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