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Ab-Initio Simulation of van der Waals MoTe2-SnS2 Heterotunneling FETs for Low-Power Electronics
Ab-Initio and MD Studies on the Interaction of Carbon Nano-Materials with Alkali Ion and Atom
Ab-Initio Calculation on Synthesis and Transmission Co-Efficient for Atomic Chains Consisting of C and Si Atoms
Ab-Initio Investigations of Magnetic Properties and Induced Half-Metallicity in Ga1-xMnxP (x=0.03, 0.25, 0.5, and 0.75) Alloys
Ab-Initio Calculations and Thermodynamic Description of the Yb-Cd and Yb-Sn Systems
Ab-Initio-Based Kinetic Modeling to Understand RAFT Exchange: The Case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene
Ab-Initio Molecular Dynamics Simulations and Calculations of Spectroscopic Parameters in Hydrogen-Bonding Liquids in Confinement
Ab-Initio Calculations for Solvus Temperatures of Pd-Rich PdRu Alloys: Real-Space Cluster Expansion and Cluster Variation Method
ab-Stream: A Framework for programming Many-core
Ab-diesel: Liquid-liquid equilibrium and volumetric transport properties
Ab-externo cyclodialysis enhanced trabeculectomy for intractable post-penetrating keratoplasty glaucoma
Ab-initio calculation of elastic constants of TiN
Ab-initio density functional theory study of a WO3 NH3-sensing mechanism
Ab-initio Calculation of Magnetic Anisotropy Energy of Iron-Gallium Alloy in L1(2) Phase
Ab-initio investigation of anisotropic optical properties of MgB2
Ab-initio study on the electronic structures of LiLuF4 crystal containing F and F-2 color centers
Ab-initio Investigation on Ion-associated Species and Association Process in NaCIO4 Solution
Ab-initio Investigation on the Ion-associated Species and Process in Mg(CIO4)(2) Solution
Ab-initio calculation of the ground and excited states of MgH using a pseudopotential approach
Ab-initio study of the effect of rare-earth elements on the stacking faults of Mg solid solutions
Ab-initio calculation of C and CO adsorption on the Co (110) surface
Ab-initio Investigation on Ion-associated Species and Association Process in NaNO3 Solution
Ab-initio Investigation of Hydrogen Trap State by Cementite in bcc-Fe
Ab-initio study of phase stability, thermodynamic and elastic properties of beryllium sulfide under extreme condition
Ab-initio calculations of synergistic chromium nitrogen codoping effects on the electronic and optical properties of anatase TiO2
Ab-initio calculations of Judd-Ofelt intensity parameters for transitions between crystal-field levels
Ab-initio investigations on elastic properties in L1(2) structure Al3Sc and Al3Y under high pressure
Ab-initio tiling and atomic structure for decagonal ZnMgY quasicrystal
Ab-initio investigation of chemical-bond formation at the diamond-like carbon surface
Ab-initio molecular dynamics simulation of delta-Bi3YO6
Ab-initio study of the interfacial properties in ultrathin MgO films on O-rich FeO/Fe(001) surfaces
Ab-initio study of new Ga-rich GaAs(001) surface (4 x 4) reconstruction
Ab-initio calculations of electronic, transport, and structural properties of boron phosphide
Ab-initio calculations of the elastic and finite-temperature thermodynamic properties of niobium- and magnesium hydrides
Ab-initio study of anisotropy and nonuniaxial anisotropy coefficients in Pd nanochains
Ab-initio study of free standing TiO2 clusters: Stability and magnetism
Ab-initio calculations for structural properties of Zr-Nb alloys
Ab-initio reconstruction of complex Euclidean networks in two dimensions
Ab-initio study of fundamental properties of ternary ZnO1-xSx alloys by using special quasi-random structures
Ab-initio study of long-period superstructures and anti-phase boundaries in Al-rich gamma-TiAl (L1(0))-based alloys
Ab-initio study of donor-acceptor codoping for n-type CuO
Ab-initio study of the structural, electronic, elastic and vibrational properties of the intermetallic Pd3V and Pt3V alloys in the L1(2) phase
Ab-initio study of anisotropic and chemical surface modifications of beta-SiC nanowires
Ab-initio investigation of half-metallic ferromagnetism in half-Heusler compounds XYZ (X = Li, Na, K and Rb; Y = Mg, Ca, Sr and Ba; Z = B, Al and Ga)
Ab-initio modeling of electromechanical coupling at Si surfaces
Ab-initio studies of some rare-earth borides: CeB2, PrB2, NdB2, and PmB2
Ab-initio studies of the Sc adsorption and the ScN thin film formation on the GaN(000-1)-(2 x 2) surface
Ab-interno peripheral iridectomy for the management of iris incarceration following deep sclerectomy
Ab-initio studies of thermal and superconducting properties of HfX2 alloys (X = Tc, Re, and Os)
Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet
Ab-initio study of half-metallic ferromagnetism in the XCsSr (X = C, Si, Ge, and Sn) half-Heusler compounds
Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface
Ab-initio calculation of formation and migration energies of intrinsic defects in BaF2
Ab-initio calculation of the As and Se L-3,L-2-edge XANIES of As2Se3 and Zn-doped As2Se3 and comparison to the experiments
Ab-initio study of structural, electronic, and transport properties of zigzag GaP nanotubes
Ab-initio study of the structural, electronic and optical properties of BSb (110) and (100) surfaces
Ab-initio study of the structure and thermodynamic properties of Ti-Si-N at external pressure
Ab-initio study of alloying effects on structure stability and mechanical properties of alpha-Nb5Si3
Ab-initio study of phase stability, elastic and thermodynamic properties of AlY alloy under pressure
Ab-initio study of CsGeCl3 compound in paraelectric and ferroelectric phases
Ab-initio simulations of higher Miller index Si:SiO2 interfaces for fin field effect transistor and nanowire transistors
Ab-initio HF and density functional theory investigations on the synthesis mechanism, conformational stability, molecular structure and UV spectrum of N '-Formylkynurenine
Ab-initio molecular treatment of the symmetric Mg2+-Mg charge transfer process
Ab-initio calculation of optical properties of AA-stacked bilayer graphene with tunable layer separation
Ab-initio computations of electronic and transport properties of wurtzite aluminum nitride (w-AlN)
Ab-initio study of dynamical properties of two dimensional MoS2 under strain
Ab-initio calculations and CALPHAD description of Cr-Ge-Mn and Cr-Ge-Si
Ab-initio investigation of electronic and magnetic properties of the 18-valence-electron fully-compensated ferrimagnetic (CrV)XZ Heusler compounds: A prototype for spin-filter materials
Ab-initio study of structural, electronic, elastic and mechanical properties of RuAl1-xGax (x=0, 0.25, 0.50, 0.75 and 1)
Ab-initio study of structural, electronic and elastic properties of cobalt intermetallic compounds
Ab-initio study of L-Tartaric Acid (LTA) single crystal for NLO application
Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations
Ab-initio study of the stability of the D8(m)-Nb5Sn2Ga and D8(m)-Ta5SnGa2 compounds
Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires
Ab-initio study of planar strain on electronic structure properties of graphene sheets with nanoholes
Ab-initio Study of Transition-Metal Dimers on Defective MgO(001) Surfaces: Atomic and Electronic Structures
Ab-initio Study of Transition-Metal Dimers on MgO(001) Surfaces: Comparison of Atomic and Electronic Properties
Ab-initio calculations of Co-based diluted magnetic semiconductors Cd1-xCoxX (X = S, Se, Te)
Ab-initio Hamiltonian approach to light nuclei and to quantum field theory
Ab-initio Predictions of Interfacial Heat Flows during the High Speed Casting of Liquid Metals in Near Net Shape Casting Operations
Ab-initio Predictions of Interfacial Heat Fluxes in Horizontal Single Belt Casting (HSBC), Incorporating Surface Texture and Air Gap Evolution
Ab-initio study of the structural, linear and nonlinear optical properties of CdAl2Se4 defect-chalcopyrite
Ab-initio calculations, FT-IR and FT-Raman spectra of 2-chloro-6-methyl benzonitrile