Functionalization effect on a Pt/carbon nanotube composite catalyst: a first-principles study

Reactive molecular dynamic simulations of early stage of wet oxidation of Si (001) surface

A Molecular Dynamics Simulation Study on the Initial Stage of Si(001) Oxidation Under Biaxial Strain

Effects of suboxide layers on the electronic properties of Si(100)/SiO2 interfaces: Atomistic multi-scale approach

Interfacial reaction-dominated full oxidation of 5 nm diameter silicon nanowires

Effects of interfacial bonding in the Si-carbon nanotube nanocomposite: A molecular dynamics approach

Atomic-Scale Simulations of Early Stage of Oxidation of Vicinal Si(001) Surfaces Using a Reactive Force-Field Potentials

Reactive molecular dynamics simulation of early stage of dry oxidation of Si (100) surface

Improved binding between copper and carbon nanotubes in a composite using oxygen-containing functional groups

Stress evolution during the oxidation of silicon nanowires in the sub-10 nm diameter regime