1Stability and anion diffusion kinetics of Yttria-stabilized zirconia resolved from machine learning global potential energy surface exploration

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

机构： Shanghai Acad Agr Sci, Shanghai 201403, Peoples R China; Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Shanghai Key Lab Mol Catalysis & Innovat Mat, Key Lab Computat Phys Sci,Dept Chem, Shanghai 200438, Peoples R China;

来源：JOURNAL OF CHEMICAL PHYSICS

年份：2020

2Two-Stage Solid-Phase Transition of Cubic Ice to Hexagonal Ice: Structural Origin and Kinetics

作者： Guan, Shu-hui; Guan, Shu-hui; Shang, Cheng; Huang, Si-Da; Liu, Zhi-Pan; SCI

机构： Shanghai Acad Agr Sci, Shanghai 201403, Peoples R China; Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Shanghai Key Lab Mol Catalysis & Innovat Mat, Key Lab Computat Phys Sci,Dept Chem, Shanghai 200433, Peoples R China;

来源：JOURNAL OF PHYSICAL CHEMISTRY C

年份：2018

3Resolving the Temperature and Composition Dependence of Ion Conductivity for Yttria-Stabilized Zirconia from Machine Learning Simulation

作者： Guan, Shu-Hui; Shang, Cheng; Liu, Zhi-Pan; Guan, Shu-Hui; SCI

机构： Fudan Univ, Dept Chem, Key Lab Computat Phys Sci, Collaborat Innovat Ctr Chem Energy Mat,Shanghai K, Shanghai 200433, Peoples R China; Shanghai Acad Agr Sci, Shanghai 201403, Peoples R China;

来源：JOURNAL OF PHYSICAL CHEMISTRY C

年份：2020

4Structure and Dynamics of Energy Materials from Machine Learning Simulations: A Topical Review(dagger)

作者： Guan, Shu-Hui; Guan, Shu-Hui; Shang, Cheng; Liu, Zhi-Pan; SCI

机构： Shanghai Acad Agr Sci, Shanghai 201403, Peoples R China; Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Shanghai Key Lab Mol Catalysis & Innovat Mat, Key Lab Computat Phys Sci,Dept Chem, Shanghai 200438, Peoples R China;

来源：CHINESE JOURNAL OF CHEMISTRY

关键词： Machine learning; Materials science; Atomic simulation; Thermodynamics; Kinetics

年份：2021

5Theoretical aspects on doped-zirconia for solid oxide fuel cells: From structure to conductivity

作者： Guan, Shu-hui; Guan, Shu-hui; Liu, Zhi-pan; SCI

机构： Shanghai Acad Agr Sci, Shanghai 201403, Peoples R China; Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Shanghai Key Lab Mol Catalysis & Innovat Mat, Key Lab Computat Phys Sci,Dept Chem, Shanghai 200438, Peoples R China;

来源：CHINESE JOURNAL OF CHEMICAL PHYSICS

关键词： Solid oxide fuel cells; Yttria stabilized zirconia; Conductivity; Atomistic structure; Theoretical aspects

年份：2021