Layer-optimized Cd0.85PS3Li0.15H0.15 triggering donor crystallization for high performance organic photovoltaics with nuclear radiation shielding

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成果类型：

期刊论文

作者：

Zou, Chuankai;Zhang, Jingyao;Liu, Yuhang;Liu, Biao;Hu, Jinqi;...

通讯作者：

Li, ZY;Ding, YF

作者机构：

[Li, ZY; Li, Zhenye; Zou, Chuankai; Kang, Xiaomin; Zhang, Jingyao; Hu, Jinqi; Liu, Yuhang] Univ South China, Coll Mech Engn, Hengyang 421001, Peoples R China.

[Ding, YF; Ding, Yu-Feng] Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.

[Liu, Biao] Cent South Univ, Sch Phys & Elect, Hunan Key Lab Supermicrostruct & Ultrafast Proc, Changsha 410083, Peoples R China.

通讯机构：

[Li, ZY ; Ding, YF ] U

Univ South China, Coll Mech Engn, Hengyang 421001, Peoples R China.

Univ South China, Sch Math & Phys, Hengyang 421001, Peoples R China.

语种：

英文

关键词：

Conversion efficiency;Crystallinity;Doping (additives);Irradiation;Lithium compounds;Molecular dynamics;Photovoltaic effects;Radiation shielding;Transition metals;Dynamics simulation;Layer-optimizion;Molecular dynamic simulation;Nuclear radiation shielding;Nuclear radiations;Organic photovoltaics;Performance;Steric hindrances;Transition-metal phosphorus trichalcogenides;Two-dimensional crystals;Phosphorus

期刊：

Chemical Engineering Journal

ISSN：

1385-8947

年：

2024

卷：

491

页码：

152149

DOI：

10.1016/j.cej.2024.152149

基金类别：

Natural Science Foundation of Hunan Province, (2023JJ40532) Natural Science Foundation of Hunan Province University of South China, USC, (210XQD018) University of South China, USC Hengyang Science and Technology Board, (202121014588) Hengyang Science and Technology Board

机构署名：

本校为第一且通讯机构

院系归属：

机械工程学院

数理学院

摘要：

Despite the recognized potential of two-dimensional crystals in organic photovoltaics (OPVs), a comprehensive understanding of layer-dependent doping effects remains elusive. Here, we employed liquid-phase exfoliation to synthesize various layers of novel metal phosphorus tri-chalcogenide (TMPTC), Cd0.85PS3Li0.15H0.15. Molecular dynamics simulation shows that Cd0.85PS3Li0.15H0.15 tends to be distributed in the domain of D18. Although increasing the Cd0.85PS3Li0.15H0.15 layer can improve its ability to adsorb D18, it will also form a larger steric hindrance in the domain of D18. The 2L Cd0.85PS...

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Layer-optimized Cd0.85PS3Li0.15H0.15 triggering donor crystallization for high performance organic photovoltaics with nuclear radiation shielding

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