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The Role of Water Molecules on Polaron Behavior at Rutile (110) Surface: A Constrained Density Functional Theory Study.

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第一作者： Yun-Bo,Li

第一单位： School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China.;Key Laboratory of Intelligent Sensors and Advanced Sensing Materials of Hunan Province, Hunan University of Science and Technology, Xiangtan 411201, China.

作者： Yun-Bo,Li ^[1] ; Rutong,Si ^[2] ; Bo,Wen ^[3] ; Xiao-Lin,Wei ^[4] ; Nicola,Seriani ^[2] ; Wen-Jin,Yin ^[5] ; Ralph,Gebauer ^[2]

作者单位： School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China.;Key Laboratory of Intelligent Sensors and Advanced Sensing Materials of Hunan Province, Hunan University of Science and Technology, Xiangtan 411201, China. ^[1] The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, I-34151 Trieste, Italy. ^[2] School of Physics and Electronics, Henan University, Kaifeng 475001, China. ^[3] Department of Physics and Laboratory for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan 411105, Hunan, China. ^[4] School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China.;The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, I-34151 Trieste, Italy.;Key Laboratory of Intelligent Sensors and Advanced Sensing Materials of Hunan Province, Hunan University of Science and Technology, Xiangtan 411201, China. ^[5]

DOI 10.1021/acs.jpclett.3c02855

PMID 38253014

发布时间 2024-02-01

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