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Articles by keyword: «First Principle»

• Ab Initio Investigation of the Influence of Single Intrinsic Defect on the Structure, Bulk Moduli and Electronic Properties of V-Doped ZnO
  Published in: Biotechnology, Chemical and Materials Engineering (p15)
• Ab Initio Study on Hexagonal Ge₂Sb₂Te₅-A Phase-Change Material for Nonvolatile Memories
  Published in: Functional and Electronic Materials (p7)
• A First-Principles Study of Hydrogen Molecules Adsorption on Graphene
  Published in: Advanced Materials Research (p586)
• Ab Initio Tensile Tests of Grain Boundaries in SiC
  Published in: Intergranular and Interphase Boundaries in Materials (p657)
• Adhesion of TiC/Fe Cermet Interface with C Vacancy: A First-Principles Study
  Published in: Advanced Materials (p368)
• Adsorption of Hydrogen Molecule on the Intrinsic and Al-Doped Graphene: A First Principle Study
  Published in: Sport, Arts Materials and Management Science (p61)
• Alkali Metal and Alkaline Earth Encapsulated Silicene-Like Nanotubes
  Published in: Key Engineering Materials and Computer Science (p410)
• Alloying Effect on the Electronic Structure of LaNi₅-Based Hydrogen Storage Alloys
  Published in: PRICM-5 (p3123)
• Atomic and Electronic Structure of LaAlO₃ and LaAlO₃:Mg from First-Principles Calculations
  Published in: Multi-Functional Materials and Structures II (p1257)
• Atomic Size Effects on Al, Ca and Sc in Mg Solid Solutions from First-Principles Calculations
  Published in: THERMEC'2003 (p599)
• CASTEP Calculation of Surface Property of Mullite Composites and Analysis of Crystal Growth Habit
  Published in: Chinese Ceramics Communications II (p432)
• Effect of a Si Additive on an Al Grain Boundary: A First-Principles Investigation
  Published in: Progress in Light Metals, Aerospace Materials and Superconductors (p829)
• Effect of Alloying Elements on the Electronic Structure of NiAl
  Published in: PRICM-5 (p3107)
• Effect of Replacement of Fe²⁺ by Co²⁺ in W-Type Hexagonal Ferrite BaFe₁₈O₂₇ to its Electronic Properties from First Principles
  Published in: Advanced Research on Engineering Materials, Energy, Management and Control (p137)
• Effects of Oxygen Adsorption on Work Functions of Mo(110) Surface and Substrate
  Published in: Materials Processing Technologies (p832)