Assessment of PBE+U and HSE06 methods and determination of optimal parameter U for the structural and energetic properties of rare earth oxides
Author:
Affiliation:
1. Institute of Applied and Physical Chemistry, Faculty 02, University of Bremen, 28359 Bremen, Germany
2. Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein, South Africa
Funder
China Scholarship Council
North German Association for High Performance Computing
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0024499
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4. Low-Temperature CO2 Methanation over CeO2-Supported Ru Single Atoms, Nanoclusters, and Nanoparticles Competitively Tuned by Strong Metal–Support Interactions and H-Spillover Effect
5. Revisiting the oxidative coupling of methane to ethylene in the golden period of shale gas: A review
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