Atomic Structure Optical Properties and Electron Transport in Self-assembled Monolayers on Surfaces

optical;monolayer;transport

Wang, Shuchun ; Marco Buongiorno Nardelli, Committee Member,Wenchang Lu, Committee Member,Jerry Bernholc, Committee Chair,Chris Roland, Committee Member,Zhilin Li, Committee Member,Wang, Shuchun ; Marco Buongiorno Nardelli ; Committee Member ; Wenchang Lu ; Committee Member ; Jerry Bernholc ; Committee Chair ; Chris Roland ; Committee Member ; Zhilin Li ; Committee Member

University:North Carolina State University

关键词: optical;    monolayer;    transport;   

Others  :  https://repository.lib.ncsu.edu/bitstream/handle/1840.16/5966/etd.pdf?sequence=1&isAllowed=y

美国|英语

来源: null

【 摘 要 】

Adsorbate-induced modification of semiconductor or metal surfaces creates a nano-scale quantum structure which offers a rich vein of exotic physical phenomena for investigation. Human desire to harness these properties for technological or scientific purposes has led to extensive experimental and theoretical investigations. This dissertation focuses on the ab initio simulations of atomic, electronic, optical, and transport properties of nano-scale systems. The calculated results for indium nanowires on the Si(111) surface identify their atomic structure and reveal a phase transition at low temperature.Transport simulationson the self-assembled monolayer of ferrocenyl-alkanethiolate on Au(111) surface show negative difference resistance, which is in very good agreement with experimental observations. This opens a new opportunity for applications in nanoscale molecular devices.