We report results of our experimental and theoretical studies on the Au concentration profile
of Cu3Au (111) during oxidation by a hyperthermal O2 molecular beam at room …

Nickel oxide (NiO) nanoparticles were synthesized at different pH levels via a sol–gel
method and calcined using microwave assistance. The study explored the effects of pH on …

NO oxidation reaction on the Pt cluster supported on γ-Al 2 O 3 (111) surface is investigated
using the climbing image nudged elastic band (CI-NEB) calculation based on the density …

Using first principles calculations with local density approximation (LDA) and LDA+U
methods, we present a detailed theoretical study of reactive gas combinations (O 2, N 2, CH …

Abstraction reactions of copper from a (111) surface using halogen (F, Cl, and Br) atoms are
studied as benchmark processes involving halogen-based etching agents. Reaction …

With the imminent depletion of fossil fuel and the increasing global carbon dioxide emission
due to transportation, the demand to find alternative sources of energy with lesser discharge …

This dissertation is an integration of several studies on the hydrogen-graphite and hydrogen-
platinum systems, which are standards for reactions relevant in realizing the vision of …

抄録 We evaluate the reactivity between the surface of the film and gas molecules and
determine the optimum gas combinations by calculating the total energy based on the …