COMPUTATION AIDED DESIGN IN MOLECULAR NANOTECHNOLOGY

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" COMPUTATION AIDED DESIGN IN MOLECULAR NANOTECHNOLOGY "

Document Type	:	Latin Dissertation
Language of Document	:	English
Record Number	:	150434
Doc. No	:	ET22226
Main Entry	:	Wei-Qiao Deng
Title Proper	:	COMPUTATION AIDED DESIGN IN MOLECULAR NANOTECHNOLOGY
Note	:	This document is digital این مدرک بصورت الکترونیکی می باشد
Abstract	:	We use multi-scale simulation strategy to understand, improve andrationally design novel materials with desired properties in molecularnanotechnology. The areas we have studied cover from molecular electronics,nano-structured materials to carbon nanotube technology.In term of molecular and nano-electronics, first we used quantummechanics to characterize the structure and current-voltage (I-V) performanceof the Stoddart-Heath rotaxane-based programmable electronic switch. Thismethodology established a basis for iterative experimental-theoretical efforts tooptimize systems for molecule-based electronics. We extended this switchprinciple and rationally designed an ultrafast molecular switch, proton-hoppingmolecular switch. Second we developed-...,..tested for theQ1 PC1 bus cardBoth these projects mere sofixare des elopment efforts tonards contributing to dlfferentaspects of Roboucs and lZ1echatronics projects m the Controls and Roboucs Group..
Subject	:	Electericl tess
	:	برق
electronic file name	:	TL45431.pdf
Title and statement of responsibility and	:	COMPUTATION AIDED DESIGN IN MOLECULAR NANOTECHNOLOGY [Thesis]