On the couplings in molecular charge transfer = 분자계 전하전달에서의 짝지음에 대하여

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We address the importance of electronic couplings and system–environment couplings in molecular charge transfer processes. The first part introduces the fragment-orbital tunneling current and its relationship with electronic couplings. The fragment-orbital tunneling current shows the direction and magnitude of charge transfer and allows estimating the electronic coupling constant. The second part investigates optimal charge transport and the necessary alignment of molecules in view of electronic couplings. Simulating variously disordered molecular chains revealed that a significant strength of system–environment couplings allows chains with decreasing or increasing electronic couplings to show superior charge transport characteristics than the ideally aligned chain. The two parts portray the significance of electronic couplings and their varying effects caused by the environment.
Advisors
Kim, Woo Younresearcher김우연researcher
Description
한국과학기술원 :화학과,
Publisher
한국과학기술원
Issue Date
2020
Identifier
325007
Language
eng
Description

학위논문(박사) - 한국과학기술원 : 화학과, 2020.2,[iv, 61 p. :]

Keywords

Charge transfer▼aCharge transport▼aElectron transfer▼aOpen quantum systems▼aQuantum dynamics; 전하 이동▼a전하 수송▼a전자 이동▼a열린 양자계▼a양자 동력학

URI
http://hdl.handle.net/10203/283538
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=907049&flag=dissertation
Appears in Collection
CH-Theses_Ph.D.(박사논문)
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