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Accounts of Chemical Research|June 17, 2021
Toward an Atomic-Level Understanding of Ceria-Based Catalysts: When Experiment and Theory Go Hand in HandMarc Ziemba, Christian Schilling, M Verónica Ganduglia-Pirovano, et al.
Physical Review Letters|March 5, 2009
Density-functional calculations of the structure of near-surface oxygen vacancies and electron localization on CeO2(111)M Verónica Ganduglia-Pirovano, Juarez L F Da Silva, Joachim Sauer
The Journal of Chemical Physics|December 17, 2008
Nonuniform temperature dependence of the reactivity of disordered VO(x)/kappa-Al2O3(001) surfaces: a density functional theory based Monte Carlo studyRémy Fortrie, Tanya K Todorova, M Verónica Ganduglia-Pirovano, et al.
The Journal of Chemical Physics|July 10, 2014
Hydrogen activation, diffusion, and clustering on CeO₂(111): a DFT+U studyDelia Fernández-Torre, Javier Carrasco, M Verónica Ganduglia-Pirovano, et al.
Frontiers in Chemistry|December 10, 2019
Corrigendum: The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO<sub>2</sub> (111) Under StrainZhong-Kang Han, Lei Zhang, Meilin Liu, et al.
Journal of the American Chemical Society|February 16, 2025
Synergistic Effects in Low-Temperature CO Oxidation on Cerium Oxide SurfacesPablo G Lustemberg, Chengwu Yang, Yuemin Wang, et al.
The Journal of Physical Chemistry Letters|June 14, 2022
Tuning Selectivity in the Direct Conversion of Methane to Methanol: Bimetallic Synergistic Effects on the Cleavage of C-H and O-H Bonds over NiCu/CeO<sub>2</sub> CatalystsPablo G Lustemberg, Sanjaya D Senanayake, José A Rodriguez, et al.
The Journal of Chemical Physics|July 18, 2023
Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theoryPablo G Lustemberg, Chengwu Yang, Yuemin Wang, et al.
Frontiers in Chemistry|July 6, 2019
The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO<sub>2</sub> (111) Under StrainZhong-Kang Han, Lei Zhang, Meilin Liu, et al.
Physical Review Letters|April 2, 2019
Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced CeO_{2}(111) SurfaceDawei Zhang, Zhong-Kang Han, Gustavo E Murgida, et al.
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