A combined experimental and theoretical investigation of donor and acceptor interface in efficient aqueous-processed polymer/nanocrystal hybrid solar cells  

作　　者：Siyu Lu Wei Ma Gan Jin Qingsen Zeng Xiaolei Feng Tanglue Feng Hanyu Liu Sheng Meng Simon A.T.Redfern Bai Yang 

机构地区：[1]State Key Laboratory of Supramolecular Structure and Materials,College of Chemistry,Jilin University [2]College of Chemistry and Molecular Engineering,Zhengzhou University [3]Ningxia Key Laboratory of Photovoltaic Materials,Ningxia University [4]Geophysical Laboratory,Carnegie Institution of Washington [5]Beijing National Laboratory for Condensed Matter Physics,and Institute of Physics,Chinese Academy of Sciences [6]Department of Earth Sciences,University of Cambridge

出　　处：《Science China Chemistry》2018年第4期437-443,共7页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(51433003);the National Basic Research Program of China(2014CB643503)

摘　　要：As a route to improving the energy conversion of organic-inorganic hybrid-solar cells, we have tested the performance of poly(phenylene vinylene)(PPV), poly(2,5-thienylene vinylene)(PWTV) polymers and CdTe nanocrystal devices produced via aqueous-processing. It is found that small differences in the conformation of the sensitizer lead to dramatic effects on the solar cell efficiency. Using a combination of UV-Vis absorption spectroscopy and first-principles non-adiabatic molecular dynamics(NAMD) based on time-dependent density-functional theory(TDDFT), PPV is found to have a longer electron injection and recombination time despite seeming to have a better energy alignment with the substrate, which leads to a higher devices performance than PWTV. The present results shed new light on the understanding of organic-inorganic hybrid-solar cells and will trigger further experimental and theoretical investigations.As a route to improving the energy conversion of organic-inorganic hybrid-solar cells, we have tested the performance of poly（phenylene vinylene）（PPV）, poly（2,5-thienylene vinylene）（PWTV） polymers and CdTe nanocrystal devices produced via aqueous-processing. It is found that small differences in the conformation of the sensitizer lead to dramatic effects on the solar cell efficiency. Using a combination of UV-Vis absorption spectroscopy and first-principles non-adiabatic molecular dynamics（NAMD） based on time-dependent density-functional theory（TDDFT）, PPV is found to have a longer electron injection and recombination time despite seeming to have a better energy alignment with the substrate, which leads to a higher devices performance than PWTV. The present results shed new light on the understanding of organic-inorganic hybrid-solar cells and will trigger further experimental and theoretical investigations.

关 键 词：aqueous-processed polymer/CdTe charge recombination non-adiabatic molecular dynamics hybrid-solar cells 

分 类 号：TM914.4[电气工程—电力电子与电力传动]