已发表成果:
WOK 论文 63 篇;中文核心 4 篇;专利发明 1 个;
Computational screening of MBene monolayers with high electrocatalytic activity for the nitrogen reduction reaction
Oxygen adsorption on high-index faceted Pt nanoparticles
Computational screening of pristine and functionalized ordered TiVC MXenes as highly efficient anode materials for lithium-ion batteries
Structural Evolution of the Surface and Interface in Bimetallic High-Index Faceted Heterogeneous Nanoparticles
Single Mn Atom Anchored on Nitrogen-Doped Graphene as a Highly Efficient Electrocatalyst for Oxygen Reduction Reaction
Molecular Dynamics Simulations of Thermally Induced Surface and Shape Evolution of Concave Au Nanocubes: Implications for Catalysis
Boosting the Electrocatalytic Activity of Fe-Co Dual-Atom Catalysts for Oxygen Reduction Reaction by Ligand-Modification Engineering
Molecular Dynamics Investigation on Thermal Stability and Shape Evolution of Pd-Au Heterostructured Nanorods: Implications for Catalysis