scispace - formally typeset
K

Kouji Inagaki

Researcher at Osaka University

Publications -  53
Citations -  1244

Kouji Inagaki is an academic researcher from Osaka University. The author has contributed to research in topics: Adsorption & Density functional theory. The author has an hindex of 12, co-authored 49 publications receiving 1078 citations.

Papers
More filters
Journal ArticleDOI

Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study

TL;DR: In this article, first-principles reaction path simulations of hydrogen fluoride (HF) adsorption at steps and terraces of 3C-silicon carbide (SiC) (111) surfaces were carried out to investigate initial processes in catalyst-referred etching (CARE).
Journal ArticleDOI

First-principles molecular-dynamics calculations and STM observations of dissociative adsorption of Cl2 and F2 on Si(001) surface

TL;DR: In this paper, first-principles molecular-dynamics (FPMD) calculations and scanning tunneling microscopy (STM) observations were used to study the dissociative adsorption process of halogen molecules on the Si(0 0 1) surface.
Journal ArticleDOI

First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces

TL;DR: It is found that the activation barrier of H2O dissociation at the kinked site of the Ga-terminated GaN surface is about 0.8 eV, which is significantly lower than that at the stepped site of about 1.2 eV and is consistent with the experimental observation where a step-terrace structure is observed after the etching process.
Journal ArticleDOI

Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.

TL;DR: Although both complexes show subtle differences in behaviour, their spectral changes are distinct, and the origin of changes in their absorption spectra upon oxidation and reduction is successfully interpreted.