Showing papers by "Kouji Inagaki published in 2015"
TL;DR: In this article, a density functional theory-based etching of the SiC surface assisted by hydrofluoric acid (HF) catalyst is investigated using density functional theories, where the gross activation barrier strongly correlates with the stability of the metastable state and is reduced by the formation of Pt-O chemical bonds.
Abstract: Hydrofluoric acid (HF) etching of the SiC surface assisted by Pt as a catalyst is investigated using density functional theory. Etching is initiated by the dissociative adsorption of HF on step-edge Si, forming a five-fold coordinated Si moiety as a metastable state. This is followed by breaking of the Si–C back-bond by a H-transfer process. The gross activation barrier strongly correlates with the stability of the metastable state and is reduced by the formation of Pt–O chemical bonds, leading to an enhancement of the etching reaction.
6 citations