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Keyword [Density Functional Theory (DFT)]
Result: 41 - 55 | Page: 3 of 3
41. Theoretical Design And Properties’ Regulation Of Two-dimensional Spintronics Materials
42. Theoretical Study Of Electronic Structure And Adsorption Properties Of Two-dimensional Materials Modified By Metal Clusters
43. Manipulation Of Electronic Structures And Magnetism In Novel Dilute Magnetic Semiconductor Materials
44. The Preparation Of C-SN Codoped GaN Nanowires And Study Of First-Principle
45. Density Functional Theory Studies On The Structures And Properties Of Au2Xn（X=F,H,OF And 1≤n≤10） Clusters
46. First-principles Study On The Regulation Of Physical Properties Of Two-dimensional Transition Metal Chalcogenides
47. First–principles Study Of Helium Behavior In Austenitic Stainless Steel
48. Study On The Detection Mechanism And Method Of Benzoic Acid Additive With Terahertz Combined With Metamaterials
49. Realizing Cubic-scaling Algorithm And Application Of GW And Bethe-Salpeter Equation With Plane-wave Basis Set
50. First Principles Study Of BiRu_n(n=3-20) Clusters
51. A First Principle Study Of Electronic And Mechanical Properties Of TMDs/Ti3C2X2 （X=S,Se,Cl,Br） Heterostructures
52. Quantum Mechanical Study On The Formation Of Solid Electrolyte Interphase In Lithium-ion Batteries
53. Similarities And Differences Analysis Of Coumarin And Its Derivatives Studied By Terahertz Spectroscopy
54. First-principles Calculation Of BiVO4 Water Oxidation
55. Effect Of Temperature On Electron-Phonon Coupling Of Carotenoids
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