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A density functional theory study of polarons on different TiO_(2) surfaces

SHI Zhiqun GONG Xueqing

燃料化学学报(中英文)2024,Vol.52Issue(12):P.1877-1888,I0011-I0013,15.
燃料化学学报(中英文)2024,Vol.52Issue(12):P.1877-1888,I0011-I0013,15.DOI:10.1016/S1872-5813(24)60489-5

A density functional theory study of polarons on different TiO_(2) surfaces

SHI Zhiqun 1GONG Xueqing2

作者信息

  • 1. Centre for Computational Chemistry,School of Chemistry and Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China
  • 2. Centre for Computational Chemistry,School of Chemistry and Molecular Engineering,East China University of Science and Technology,Shanghai 200237,China School of Chemistry and Chemical Engineering,Shanghai Jiao Tong University,Shanghai 200240,China
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摘要

关键词

polaron/surface defect/photoexcitation/TiO_(2)/density functional theory

分类

化学化工

引用本文复制引用

SHI Zhiqun,GONG Xueqing..A density functional theory study of polarons on different TiO_(2) surfaces[J].燃料化学学报(中英文),2024,52(12):P.1877-1888,I0011-I0013,15.

燃料化学学报(中英文)

OA北大核心CSTPCD

2097-213X

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