Keyword [first-principle calculations]
Result: 21 - 40 | Page: 2 of 6 |
| 21. | The Exploration And Studies On Physical Properties Of Several Highly-spin-polarized Materials With Heusler Structure |
| 22. | Research On Modulating Electronic Structure Of Novel Two Dimensional Materials |
| 23. | First Principles Study On The Physical Properties Of Functional Materials A2B2O7 （A=Cd,Nb;B=Nb, Ta） |
| 24. | Interface Magnetoelectric Coupling Effect And Spin Dependent Transport In M/KNbO3 （M= Fe, Co And Ni） |
| 25. | Electron Localization On CeO2Surfaces And Their Effect On CO Catalytic Oxidation: A First-principle Investigation |
| 26. | A Study Of The Size-dependent Elastic Properties Of Silicon Carbide Nanotubes And Cadmium Selenide: First-principles Calculations |
| 27. | The Hydrogen Storage Properties Of Metal Hydrides R3ZNH5（R=K, Rb,Cs） And Effect Of Co-Doped NABH4:First-principle Calculations |
| 28. | First-Principles Study Of Structure And Electronic Property Of Eu2MgH6and Rb2MgH4 |
| 29. | First-Principles Study On The Mechanical Properties Of LaMg3and LaCuMg2 |
| 30. | Doping Process, Photocatalytic Activity And First-Principle Calculations Of Fe Or Cr-Doped ZnO And ZnO/Ag |
| 31. | Synthesis, Field Emission Activity And First-Principle Calculations On Electronic Structure Of Nitrogen-Doped One-Dimensional Sic Nanomaterials |
| 32. | First-principle Calculations And Preparation Of Titanate And TiO2Monolayer |
| 33. | First-Principle Calculations On The Electronic Structures,Magnetic Properties Of (SnX_n,X=S,Se,n=1.2) Nanostructures |
| 34. | First Principle Calculation On Fundamental Properties Of PdCu Alloys |
| 35. | Exploring Adsorption Of R6G Molecule On Graphene By The First-principle Calculations |
| 36. | Synthesis, Field Emission Propertyand First-Principle Calculations Of La-N Codoped And La2O3 Modified SiC Nanowires |
| 37. | Transition Metal Atoms Absorbed Bare Graphene-like Carbon Nitride Nanoribbons:A DFT+U Study |
| 38. | First-principles Simulation On Molecular Interactions And Physical Properties Of Several New Kind Of Energetic Materials |
| 39. | Borospherenes: Structures, Chemical Bonding And Photoelectron Spectroscopy |
| 40. | First Principle Calculations Of Crystal Defects In(Oxy) Nitride Photocatalysts |
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