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Density functional theory study of adsorption and dissociation of HfCl4 and H2O on Ge∕Si(100)-(2×1): Initial stage of atomic layer deposition of HfO2 on SiGe surface

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Density functional theory study of adsorption and dissociation of HfCl4 and H2O on Ge∕Si(100)-(2×1): Initial stage of atomic layer deposition of HfO2 on SiGe surface

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Tailoring band gaps of insulators by adsorption at surface defects: Benzoic acids on NaCl surfaces

Density functional theory study of Ir atom deposited on gamma-Al2O3 (001) surface

Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles

TiO2-Modified Macroporous Silica Foams for Advanced Enrichment of Multi-Phosphorylated Peptides

Li-related defects in ZnO : hybrid functional calculations

Structure and stability of the Si(331)-(12x1) surface reconstruction investigated with first-principles density functional theory

Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys

Density-functional theory study of Au, Ag and Cu defects in germanium

Effects of chlorine residue in atomic layer deposition hafnium oxide: A density-functional-theory study

Stability and physical properties of alkylsilane and alkylphosphonate self-assembled monolayer (SAM) films on metal oxide substrates characterized at the micro- and nanoscale