Katsutoshi Fujiwara

DFT calculation for adatom adsorption on graphene sheet as a prototype of carbon nano tube functionalization (2007)

Ishii, Akira, Yamamoto, Masana, Asano, Hiroki, Fujiwara, Katsutoshi

DFT calculation of various atomic species on graphene sheet is investigated as prototypes for formation of nano-structures on carbon nanotube (CNT) wall. We investigate computationally adsorption...

Growth mechanisms of GaN on the O-terminated ZnO(000-1) surfaces (2006)

Fujiwara, Katsutoshi, Ishii, Akira, Ebisuzaki, Toshikazu, Kobayashi, Atsushi, Kawaguchi, Yuji, Ohta, Jitsuo, ...

We have investigated the stability of the 1ML-GaN on the O-polarity ZnO(000-1) interface structure using the first-principles calculation. We have found in our calculated results that the most stable...