first-principles density functional theory - Globe Thesis

Keyword [first-principles density functional theory] Result: 1 - 20 \| Page: 1 of 2
1.	First-principles Density-functional Study Of The Field Emission Properties Of Carbon Nanotubes
2.	First-principles Investigation On The Properties Of Nanodiamond, Carbon Nanotube And Graphene
3.	First-principles Studies For The Adsorption Of Sulfur And CO On Transition Metal Surfaces
4.	First-Principles Study Of Defect Physics For ZnO And Phase-Change Mechanism For GeSbTe
5.	First-principles Study Of The Adsorption On B(N)-doped SWCNTs
6.	The Simulation Computation And Analysis On Photoelectric Properties Of The Si/SIO₂ Nano Embedded Thin Films
7.	First Principles Study Of Ceramic Materials Rbaco <sub> 4 </ Sub> O <sub> 7 </ Sub> And Pb Films Quantum Size Effect
8.	.si / Ge Nano-thin Film Optical And Electrical Properties Of The Simulation Analysis
9.	First-principles Study Of Nanobelts And Carbon-doped Aluminum Nitride, Aluminum Nitride Nanobelts / Sheet
10.	Theoretical Studies On The Nanofriction Properties And Modulations Of MoS₂ And Clusters Diffusion On Metal Surface
11.	First-principles Study Of Nucleation And Growth Of Semiconductor Nanowires
12.	Research On Simulative Calculation Of Field Emission Properties Of Carbon Nanotubes
13.	Electronic And Magnetic Properties Of Triangular Graphene Nanofiakes Embedded In Fluorographene
14.	A First Principles Study On The Effects Of Temperature, Pressure, And Special Chemical Bond On Strengths Of Materials
15.	Preparation Of Two-Dimensional Polyaniline Composed Of Linear Long-Chain Polymers And Their Properties
16.	Porous Graphite Sheets Are Used As Theoretical Studies For Hydrogen Purification And Storage Materials
17.	Microstructure And First-principles Study On Interface Of SiC/Al Matrix Composites
18.	First-principles Studies Of Polarization And Topological Properties In Two-dimensional Systems
19.	Low-dimensional Functional Nanomaterials Based On The Quantum Confinement Effect:Computational Study And Theoretical Design
20.	Investigation On The 2D Heterostructures(BP/g-GaN And Bi₂Te₃/Graphene):The Potential Photocatalysis And Thermoelectric Property
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