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Keyword [first-principles calculations]
Result: 101 - 120 | Page: 6 of 10
101.
First-principles Calculations On New Cathode Materials For Lithium-ion Batteries
102.
Theoritical Investigations On Hydrogen Storage Properties Of Cu-doped MgH
2
,Ti/V
Li
Decorated LiBH
4
,and Pure LiCa（AlH
4
）
3
103.
The Study On The Surface Structures And Novel Properties Of Topological Crystalline Insulator Snte
104.
First-principles Study On The Magnetism Of Silicene Doped With Metal Atoms Under External Field
105.
First-principles Study Of Quasi-two-dimensional Semiconductors:Materials Prediction And Strain Modulation
106.
First-principles Investigation On Two-Dimensional AlN Doped With Nonmagnetic Elements
107.
The Electronic Structure And Thermoelectric Properties Of Zint1 Compounds A
5
Sn
2
As
6
（A = Sr, Ca）: First-principles Calculations
108.
Investigation Of Epitaxial Growth And Tunable Electronic Properties For Silicene-based Heterobilayers
109.
Designing A Multi-functional Device Based On A Molecule With Two Benzene Rings Connected By Transition Metal Atoms
110.
Effects Of O Defects On The Magnetism And Electronic Structure Of Ti-doped CoO: A First-principle Prediction
111.
Tunable Electronic And Magnetic Properties Of Functionalized Ⅲ-Ⅴ And Ⅳ Two-Dimensional Nanostructures: A First-principles Calculations Study
112.
Optical Properties And First Principles Calculations Of The(Cr,Ca):YAG Crystals
113.
Physical Properties Of The Anti-perovskites RE
3
AIC Using First-principles Calculations
114.
First-principles Calculations On The Surfaces Of Perovskites KCaF
3
,NaCaF
3
And KMgF
3
115.
First-principles Investigations On Mecanical Properties And Electronic Structures Of Diverse Pt-M Intermetallics
116.
First-principles Calculations On Magnetism Of β
12
Boron Sheet Nanoribbons
117.
First-principles Study Of A New Superhard Carbon Phase:C
20
-T Carbon
118.
First-principles Calculations On The Dynamic Properties Of Noble Metal Single-atom And Nanoclusters On WTe
2
Monolayer
119.
Theoretical Studies Of The Quantum Manipulation And Application Towards Single Defect In Semiconductor
120.
Theoretical Study On Structures Of Lanthanum At High Temperature And High Pressure
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