Stability and anion diffusion kinetics of Yttria-stabilized zirconia resolved from machine learning global potential energy surface exploration.

Guan, Shu-Hui; Zhang, Ke-Xiang; Shang, Cheng; Liu, Zhi-Pan

Guan, Shu-Hui; Zhang, Ke-Xiang; Shang, Cheng; Liu, Zhi-Pan.

Afiliación

Guan SH; Shanghai Academy of Agricultural Sciences, Shanghai 201403, China.
Zhang KX; Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200438, China.
Shang C; Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200438, China.
Liu ZP; Collaborative Innovation Center of Chemistry for Energy Material, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Key Laboratory of Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200438, China.

J Chem Phys ; 152(9): 094703, 2020 Mar 07.

Article en En | MEDLINE | ID: mdl-33480711

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: China Pais de publicación: Estados Unidos

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