Run‐Ning Zhao
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View article: Exploration on Electronic Properties of Self-Assembled Indium Nitrogen Nanosheets and Nanowires by a Density Functional Method
Exploration on Electronic Properties of Self-Assembled Indium Nitrogen Nanosheets and Nanowires by a Density Functional Method Open
Equilibrium geometries and properties of self-assembled (InN)12n (n = 1–9) nanoclusters (nanowires and nanosheets) are studied using the GGA-PBE (general gradient approximation with Perdew–Burke–Ernzerh) method. The relative stabilities an…
View article: The stabilities and geometries of Re-encapsulated Si <sub>n</sub> (n=16, 20, 24, 28, 32, 36, and 40) clusters: A computational investigation
The stabilities and geometries of Re-encapsulated Si <sub>n</sub> (n=16, 20, 24, 28, 32, 36, and 40) clusters: A computational investigation Open
Geometry optimization of the mixed Si n Re (n=12, 16, 20, 24, 28, 32, 36, and 40) cages with doublet, quartet, and sextet spin configurations is carried out systematically at the UHF/LanL2DZ level. Equilibrium structures, total energies, a…
View article: Correction: A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB)<sub>2n</sub> (<i>n</i> = 6–27, 30) functional nanomaterials
Correction: A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB)<sub>2n</sub> (<i>n</i> = 6–27, 30) functional nanomaterials Open
Correction for ‘A theoretical study of the geometries, and electronic and surface properties of sphere-like (SiB)2n (n = 6–27, 30) functional nanomaterials’ by Run-Ning Zhao et al., Phys. Chem. Chem. Phys., 2019, DOI: 10.1039/c9cp04900b.
View article: Geometrical and electronic properties of PdWSi <i> <sub>n</sub> </i> ( <i>n</i> =10–20) semiconductor materials
Geometrical and electronic properties of PdWSi <i> <sub>n</sub> </i> ( <i>n</i> =10–20) semiconductor materials Open
Geometries and electronic properties of PdWSi n ( n =10–20) clusters are investigated by density functional methods. According to our calculated results, it is obvious that tungsten (W)-encapsulated silicon frame determines the final PdWSi…