[15a-PB1-1~16] 9.2 Nanowires and Nanoparticles

[15a-PB1-14] Theoretical investigation on Au-anchoring by phosphate-modified Al₂O₃ surface

〇(D)Kohei Tada¹, Hiroaki Koga², Yudai Kondai¹, Mitsutaka Okumura^1,2 (1.Osaka Univ., 2.ESICB)

Keywords:Au clusters and nano particles,Au catalysts,Density functional theory

Au clusters (< 5 nm) on certain supports show high catalytic activities, whereas the thermal stability is very low due to Au sintering. In this point of view, it was turned out that a phosphate-doped Al₂O₃ surface fixes Au clusters. The detailed mechanism, however, is still unknown. Therefore, in order to clarify the mechanism, we investigated Au and Au₂ cluster adsorption onto model surfaces (Al₂O₃ and phosphate-doped Al₂O₃'s) by density functional theory.