Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory.

Lustemberg, Pablo G; Yang, Chengwu; Wang, Yuemin; Wöll, Christof; Ganduglia-Pirovano, M Verónica

Lustemberg, Pablo G; Yang, Chengwu; Wang, Yuemin; Wöll, Christof; Ganduglia-Pirovano, M Verónica.

Afiliação

Lustemberg PG; Institute of Physics Rosario, IFIR, National Scientific and Technical Research Council, CONICET, and National University of Rosario, UNR, S2000EKF Rosario, Santa Fe, Argentina.
Yang C; Institute of Catalysis and Petrochemistry, ICP, Spanish National Research Council, CSIC, 28049 Madrid, Spain.
Wang Y; School of Space and Environment, Beihang University, Beijing 100191, People's Republic of China.
Wöll C; Institute of Functional Interfaces, IFG, Karlsruhe Institute of Technology, KIT, 76344 Eggenstein-Leopoldshafen, Germany.
Ganduglia-Pirovano MV; Institute of Functional Interfaces, IFG, Karlsruhe Institute of Technology, KIT, 76344 Eggenstein-Leopoldshafen, Germany.

J Chem Phys ; 159(3)2023 Jul 21.

Article em En | MEDLINE | ID: mdl-37462286

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article