Fu-He Wang

Hydrogen-Promoted Grain Boundary Embrittlement and Vacancy Activity in Metals: Insights from <I>Ab Initio</I> Total Energy Calculatons

Ab‐initiosimulations of materials using VASP: Density‐functional theory and beyond

Gallium adsorption onto (1120) gallium nitride surfaces

Curved Pi-Conjugation, Aromaticity, and the Related Chemistry of Small Fullerenes (<C₆₀) and Single-Walled Carbon Nanotubes

Hydrogen Embrittlement Understood

Gallium adsorption on (0001) GaN surfaces

Strong affinity of hydrogen for the GaN(000-1) surface: Implications for molecular beam epitaxy and metalorganic chemical vapor deposition

Band Bending in Semiconductors: Chemical and Physical Consequences at Surfaces and Interfaces

Morphology development of GaN nanowires using a pulsed-mode MOCVD growth technique

Metal-Free Catalysts for Oxygen Reduction Reaction

Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO₂ Nanoparticles

First-principles study on morphology and mechanical properties of single-walled carbon nanotube

First-principles investigation of brittle cleavage fracture of Fe grain boundaries

Band bending and photoemission-induced surface photovoltages on cleann- andp-GaN (0001) surfaces

Carbon nanotube reinforced cementitious composites: An overview

Point defect of titanium sesquioxide Ti2O3 as the application of next generation Li-ion batteries

Photothermal Nanomaterials: A Powerful Light-to-Heat Converter

Chemistry of Carbon Nanotubes

Theoretical study on the interaction of neutral and charged Ti_n (n = 1–7) clusters with one oxygen molecule

Electronic, magnetic and optical properties of β-Ti3O5 and λ-Ti3O5: A density functional study

Electronic structure of1×1GaN(0001) andGaN(0001¯)surfaces

First-principles investigation of hydrogen embrittlement in polycrystallineNi3Al

Ab initiostudy of oxygen adsorption on the Ti(0001) surface

The effects of boron and hydrogen on the embrittlement of polycrystalline Ni3Al

Density functional calculations of the polarizability and second-order hyperpolarizability ofC50Cl10