期刊
CHEMICAL PHYSICS LETTERS
卷 586, 期 -, 页码 97-99出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2013.09.008
关键词
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资金
- NSFC [11222431, 11074287]
- MOST [2012CB921403]
- hundred-talent program of CAS
Paraquinoid rings are introduced in the pi-conjugation of all-organic donor-pi-acceptor dyes as sensitizer in dye sensitized solar cells, to drastically shift optical response from violet-blue to near-infrared and to significantly enhance photoabsorption. Taking Y1 as a model, real time electron dynamics simulations based on time-dependent density functional theory confirm that paraquinoid conjugation maintains high thermal stability and ultrafast electron-hole separation at ambient temperature. (C) 2013 Elsevier B.V. All rights reserved.
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