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Keyword [First-principle calculation]
Result: 121 - 140 | Page: 7 of 10
121. Graphitic Carbon Nitride-based Photocatalytic Materials Performance Optimization And First Principle Study
122. Theoretical Study Of The Structure Of Metal Nanoparticles Under The Real Reaction Conditions
123. Epitaxial Growth And First Principle Calculation Of AIN/TiN/Si System
124. The First Principle Calculation Of Silicon-based Inclusion Complex
125. Study On Structure And Magnetic Properties Of La,Ce-contained R-Fe-B Alloys
126. The Study Of Effects Of Temperature And Content On Micro-magnetic Structure Of Fe-V Alloys
127. Metal-decorated Nitrogen-adulterated Graphene For Water Molecule Decomposition By Theoretical Study
128. First Principle Simulation Of Ni3Al Oxidation At The Early Stage
129. Investigation On Erosion-corrosion Behaviors And Cavitation Erosion-Corrosion Behaviors Of Al Alloying β-Ta5Si3 Nanocrystaline Coating
130. Research On The Influence Of Substrate On The Microstructure And Magnetic Properties Of MnGa Thin Film
131. The Research Of Hydrogen Diffusion Mechanism On α-Al2O3-/α-AlPO4 Interface
132. A Study On The Electric Structure And Optical Properties Of Monolayer MoS2 Via The First Principle Calculation
133. Effects Of Surface Regulation And Substrate On Two-dimensional Materials Of Pnictogens
134. First Principle Calculation And Molecular Dynamics Study Of Covalent Organic Frameworks
135. Theoretical Study Of The Machanism Of Lithium Dendrite Nucleation On Graphene Anode In Lithium-ion Batteries
136. The Properties Of Equi-atomic Medium And High Entropy Alloys By First-principles Calculations
137. Performance Of Several New Catalysts For Fuel Cell Cathode
138. Study Of The Electronic Properties And Application Of The Monolayer MX2（X=N,M=Be,Mg）and Hf（Zr）GeTe4
139. Theoretical Study On Co-H And Rh-H Systems Of Transition Metal Hydrides Under High Pressure
140. Theoretical Study On The Electronic Structure And Gas Sensing Properties Of Two-Dimensional Graphyne Adsorbed By NO Small Molecule
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