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Keyword [the First-principles Calculations]
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1. Research On The First-principles Calculations Of Binary Rare Earth Compound In Ag-Cu-Ni-Ce Alloy
2. Simulation Study Of Low-dimensional ZnO Nanostructure Based On The First-principles Calculations
3. Exploring Novel Superhard Materials From The First-principles Calculations
4. Study On The Defects Of Ta3N5Photocatalyst Based On The First-Principles Calculations
5. Influence Of Strain On Water Adsorption And Dissociation On RutileTiO2(110) Surface
6. Properties And Brittle Fracture Mechanism Of Co-Sc Intermetallic Compound
7. The Study Of Noble Metal-based Nanoclusters And Surface/interface Structures By The First-principles Theory
8. Studies Of Electromagnetic Transport Properties Of Perovskite Oxide Heterojunction Interfaces
9. Theoretical Studies On The Structure And Properties Of Thin Film Influenced By Substrate
10. Friction Behaviors And Mechanisms Of Solid Lubrication Films In The CO2 Environment
11. Investigation On The Properties Of Magnetostrictive Material Iron-gallium Based On The First-principles Calculations
12. Point Defects In Two-dtmenstonal Structures Of ?-group Nitrides
13. Study On The Application Of Novel Silicon-based Two-dimensional Materials As Anode Materials For Lithium Ion Batteries
14. The First-principles Calculations Of Zirconium-Aluminum Alloy System
15. Regulation Of Thermal Transport Properties Of Two-Dimensional Boron Nanosheets
16. Mixed Valence Cs4SbBiCl12 Perovskite Derivative As Photovoltaic Absorber:A First Principle Investigation
17. The First-Principles Calculations Of The Effects Of Interactions On Thermal Transport In Two-Dimensional Materials
18. First-principles Calculation Study On The Superconductivity Of Li Intercalated SnS2
19. First Principles Study On The Interaction Between Surface Modification Of Graphyne And Gas Molecules
20. Design And Physical Properties Of New Silicon And Si-Ge Alloy Materials
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