Xi’an
China
Shaanxi University of Science and Technology - Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials
Nitrogen reduction reaction, Ir-Mo electrocatalysts, DFT calculations, Dope, NH3 synthesis
NH3 synthesis, single-atom electrocatalyst, DFT calculations, doping, g-C3N4
NH3 synthesis, single-atom electrocatalyst, DFT calculations, Doping, g-C3N4
Nitrogen dissociation, electrocatalysts, Ir(100) surface, DFT calculations, Transition state
2D BC3N2 monolayer, CO2/CH4 capture and conversion, CH3COOH production, the first principles calculations
experimental study, Theoretical calculation, Cyclization reaction, Multicomponent, Unsaturated compound
NH3 synthesis, single-atom electrocatalyst, DFT calculations, Doping, Graphyne
Singlet-Atom Catalyst, phosphor tungstic acid, Density Functional Theory, Epoxidation
DFT calculations, Cluster catalysts, B-doped, Nitrogen reduction reaction, Graphyne
N2 electroreduction, TM@BC3N2, N vacancy, First-principles
Nitrogen reduction reaction, electrocatalysts, DFT calculations, CuO, Catalytic activity.
Oxygen Evolution Reaction, Single-Atom Catalysts, Density-functional theory, Machine learning
Nitrogen reduction reaction, Electrocatalysts, MoS2, DFT calculations, Dope
Nitrogen reduction reaction, electrocatalysts, DFT calculations, Dope, C3N surface
NH3 synthesis, single-atom electrocatalyst, DFT calculations, nitrogen reduction reaction, B2C3P
DFT calculations, single-atom electrocatalyst, B2C3P, Nitrogen reduction reaction, NH3 synthesis
Theoretical calculation, Reduction reaction, Catalysts, Adsorption and activation
Energy storage and conversion, Yttrium hydroxide, Nanocrystalline materials, Polysulfide, shuttle effect
nitrogen reduction reaction, electrocatalysts, DFT calculations, CuO, Catalytic activity
Nitrogen reduction reaction, Electrocatalysts, MoS2, DFT Calculations, Dope
lithium-sulfur batteries, polysulfides, shuttle effect, LaOCl nanofibers, High sulfur loading
copper oxides, structure prediction, the First-principle calculations
theoretical calculation, Monatomic catalysis, Electrochemistry, carbon dioxide reduction
