about
First-principles study of configurational disorder in B 4 C using a superatom-special quasirandom structure methodThe thermal and electrical properties of the promising semiconductor MXene Hf2CO2.Designing high-performance layered thermoelectric materials through orbital engineering.A single-source precursor approach to solution processed indium arsenide thin filmsPoint defects in ZnO: an approach from first principlesRange separation and local hybridization in density functional theoryUnravelling the interplay of crystal structure and electronic band structure of tantalum oxide (Ta2O5)Spiral chain O₄ form of dense oxygen.Topological Properties of Atomic Lead Film with Honeycomb Structure.CO adsorption on the GaPd(1[combining macron]1[combining macron]1[combining macron]) surface: a comparative DFT study using different functionals.SiH/TiO2 and GeH/TiO2 heterojunctions: promising TiO2-based photocatalysts under visible lightEvolution of crystal structures in GeTe during phase transition.Disentangling the intricate atomic short-range order and electronic properties in amorphous transition metal oxides.Alkane adsorption in Na-exchanged chabazite: the influence of dispersion forces.Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.Imprinting self-assembled patterns of lines at a semiconductor surface, using heat, light, or electronsKohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory.Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperatureNonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory.Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors.Charge carrier mobility in hybrid halide perovskitesA mechanism of Cu work function reduction in CsBr/Cu photocathodes.Photoinduced hydrogen-bonding dynamics.Nano-sized Superlattice Clusters Created by Oxygen Ordering in Mechanically Alloyed Fe Alloys.Design of Advanced Photocatalysis System by Adatom Decoration in 2D Nanosheets of Group-IV and III-V Binary Compounds.Semihydrogenated BN sheet: a promising visible-light driven photocatalyst for water splitting.Screened hybrid density functionals for solid-state chemistry and physicsSpin Orbit Coupling Gap and Indirect Gap in Strain-Tuned Topological Insulator-AntimoneneDecreasing the electronic confinement in layered perovskites through intercalation.New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides.Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytes.Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.Two-dimensional tricycle arsenene with a direct band gap.Overview of the crystal chemistry of the actinide chalcogenides: incorporation of the alkaline-earth elements.Structural, electronic and ferroelectric properties of croconic acid crystal: a DFT study.Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space.Ti3C2 MXene co-catalyst on metal sulfide photo-absorbers for enhanced visible-light photocatalytic hydrogen production.Electronic structure of aqueous solutions: Bridging the gap between theory and experiments.
P2860
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P2860
description
2006 nî lūn-bûn
@nan
2006 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
name
Screened hybrid density functionals applied to solids.
@ast
Screened hybrid density functionals applied to solids.
@en
Screened hybrid density functionals applied to solids.
@nl
type
label
Screened hybrid density functionals applied to solids.
@ast
Screened hybrid density functionals applied to solids.
@en
Screened hybrid density functionals applied to solids.
@nl
prefLabel
Screened hybrid density functionals applied to solids.
@ast
Screened hybrid density functionals applied to solids.
@en
Screened hybrid density functionals applied to solids.
@nl
P2860
P50
P356
P1476
Screened hybrid density functionals applied to solids
@en
P2093
P2860
P304
P356
10.1063/1.2187006
P407
P577
2006-04-01T00:00:00Z