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Keyword [first-principles computation]
Result: 1 - 8 | Page: 1 of 1
1.
A First-principles Investigation On The Effect Of The Divacancy Defect On The Band Structures Of Boron Nitride Nanoribbons
2.
A First-principles Study On NO Heterogeneous Absorption On Carbon Surface And The Effects Of Defect,Metal And Functional Groups
3.
Synthesis Of Transition Metal Nitride(Selenide)for Their Applications In Lithium-Sulfur Batteries
4.
Structural Prediction And Property Analysis Of Novel Two-Dimensional Transition Metal Compounds
5.
Study On Corrosion Resistance Of Aluminum Alloy Based On First Principles
6.
Theoretical Study On Simulation For The Diffusion Of Oxygen Vacancy In Titanium Dioxide Based On Deep Learning
7.
Design And First-Principles Calculations Of Molybdenum,Tungsten,Tantalum Sulfide And Halogen Doped Graphene Heterojunctions
8.
Theoretical Study On Phonon Topology Of Points And Surfaces In Solid Materials
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