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Keyword [first-principles methods]
Result: 1 - 20 | Page: 1 of 2
1.
First-principles Study Of The Doping And Structural Effects On The Properties Of Carbon Nanotubes
2.
First-principle Study Of The Effects Of Defects On The Electronic Structures And Transport Properties Of Carbon Nanotubes
3.
Theoretical Studies On Matals Doped TiO
2
And ZnO With First-Principles Methods
4.
A Theory Study On Solvent Effects For The Process Of Slurry Catalyst Preparation And Reaction And The Phase Transition Mechanism Of TiO
2
5.
Theoretical Study On Electronic Structure And Hydrogen Storage In Low Dimensional System
6.
The Study On The Pressure Control Mechanism Of The Thermoelectric Properties Of Bi
2
Se
3
with Native Point Defect
7.
Theoretical Studies Of Electronic States And Spin-orbit Coupling Properties Of Metal-doped Graphene And Related Systems
8.
The Theoretical Study On The Mechanism Of The Pressure Effect On The Thermoelectric Properties Of CoSb
3
System
9.
Prediction And Design Of Novel Carbon Crystals By First-principles Methods
10.
Impurity Effects On The Electronic Structures Of GaN-based Low-dimensional Systems And α-Fe
2
O
3
11.
Atom-scale Calculation Of Hydrogen Permeation In Cu-Pd Alloys
12.
The Basal Staking Fault And The Transformation Pathways For Vitual Long Period Stacking Order Structure In Mg:First-Principles Study
13.
Designing Low-Dimensional Nanomaterials With Unique Optical And Magnetic Properties Based On First-Principles Methods
14.
Interfacial Microstructures And Mechanical Properties Of Al/TiC And Al/Al
2.5
X
0.5
Zr(X=Cu?Zn?Ag) From First-principles Calculations
15.
The Surfuce Adsorption Of Two-dimensional Graphene-like Materials
16.
Research On The Design And Performance Of A New Type Of Carbon Allotrope Based On First-principles Methods
17.
Electronic and thermal studies of Hubbard clusters and indium oxide based semiconductors: Exact and first principles methods
18.
Determining Phase Stability in the Co-Al-W System using First Principles Methods
19.
First-Principles Study Of Mechanical Behaviors And Toughening Mechanisms Of Boron Carbide
20.
Magneto-electronics Properties Of Net-Y Nanoribbons And Magnetism In CrI
3
/SiC Van Der Waals Heterostructures
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