"First principles calculations" trang 1 - tải miễn phí từ tailieunhanh
Ferroelectrically tunable magnetism in BiFeO3/BaTiO3 heterostructure revealed by the first-principles calculations

Ferroelectrically tunable magnetism in BiFeO3/BaTiO3 heterostructure revealed by the first-principles calculations
7    80    0
Valance band maximum and thermoelectric properties of Bi2O2Se: First-principles calculations

Valance band maximum and thermoelectric properties of Bi2O2Se: First-principles calculations
12    87    1
First-principles study on the structural and electronic properties of single-layer MoSi2N4

First-principles study on the structural and electronic properties of single-layer MoSi2N4
7    12    1
Báo cáo y học:

Báo cáo y học: "Determining promoter location based on DNA structure first-principles calculations"
10    61    0
Energy-loss function for lead

Energy-loss function for lead
6    83    0
Density functional theory calculations for formation energies and structural characteristics of La or Gd doped Bi2WO6 systems

Density functional theory calculations for formation energies and structural characteristics of La or Gd doped Bi2WO6 systems
6    79    0
Adsorption of 2-butanone on pristine graphene: A first-principles study

Adsorption of 2-butanone on pristine graphene: A first-principles study
9    47    1
Theoretical prediction of the structural and electronic properties of a single layer graphene-like two-dimensional janus Janus GaInSTe

Theoretical prediction of the structural and electronic properties of a single layer graphene-like two-dimensional janus Janus GaInSTe
7    20    1
Study on gas adsorption properties (N2, H2, O2, NO, NO2, CO, CO2, SO2, H2S, H2O and NH3) on the O-vacancy-containing Sc2CO2 monolayer

Study on gas adsorption properties (N2, H2, O2, NO, NO2, CO, CO2, SO2, H2S, H2O and NH3) on the O-vacancy-containing Sc2CO2 monolayer
12    24    1
Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study

Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study
12    13    1
First-principles Calculations on Electronic Properties of LaNiO3 in Solid Oxide Fuel Cell Cathodes

First-principles Calculations on Electronic Properties of LaNiO3 in Solid Oxide Fuel Cell Cathodes
5    90    0
First-principles calculations to investigate structural, electronic, half-metallic and thermodynamic properties of hexagonal UX2O6 (X1/4Cr,V) compounds

First-principles calculations to investigate structural, electronic, half-metallic and thermodynamic properties of hexagonal UX2O6 (X1/4Cr,V) compounds
8    58    1
First principles study on electronic and optical properties of quinary copper-based sulfides and selenides Cu2HgGe(S1-xSex)4

First principles study on electronic and optical properties of quinary copper-based sulfides and selenides Cu2HgGe(S1-xSex)4
9    54    1
First-principles study of electronic and optical properties and photocatalytic performance of MS monolayer under strain

First-principles study of electronic and optical properties and photocatalytic performance of MS monolayer under strain
8    11    1
Tuning the electronic and magnetic properties of MgO monolayer by nonmetal doping: A first-principles investigation

Tuning the electronic and magnetic properties of MgO monolayer by nonmetal doping: A first-principles investigation
21    13    1