论文成果
- Anisotropic kinetics of solid phase transition from first principles: alpha-omega phase transformation of Zr.-Physical Chemistry Chemical Physics-2016-01-01-18
- Mechanism and microstructures in Ga2O3 pseudomartensitic solid phase transition.-Physical Chemistry Chemical Physics-2016-01-01-18
- Subnano Pt Particles from a First-Principles Stochastic Surface Walking Global Search.-Journal of Chemical Theory and Computation-2016-01-01-12
- Inherent Simple Cubic Lattice Being Responsible for Ultrafast Solid-Phase Change of Ge2Sb2Te5.-Journal of Physical Chemistry Letters-2017-01-01-8
- Proton-Promoted Electron Transfer in Photocatalysis: Key Step for Photocatalytic Hydrogen Evolution on Metal/Titania Composites.-ACS Catalysis-2017-01-01-7
- Origin of the type-II band offset between rutile and anatase titanium dioxide: Classical and quantum-mechanical interactions between O ions.-PHYSICAL REVIEW B-2017-01-01-95
- Glassy nature and glass-to-crystal transition in the binary metallic glass CuZr.-PHYSICAL REVIEW B-2017-01-01-95
- Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu.-Journal of Chemical Physics-2017-01-01-147
- Dynamic structures and catalytic properties of platinum nanoparticle in carbon nanotube.-Abstracts of Papers of the American Chemical Society-2017-01-01-253
- Microporous Titania Crystals with Penta-oxygen Coordination.-ACS Applied Energy Materials-2018-01-01-1
