[P1-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[P1-3pm-18] Theoretical study on the adsorption and dehydrogenation reaction of ammonia on the surface of Al_nCo^-(n=10-13) clusters

^○Kazunari Miyauchi¹, Hidenori Matsuzawa¹ (1. Chiba Institute of Technology)

[Lang.] Japanese

Keywords:Al-Co cluster, ammonia, adsorption energy, dehydrogenation reaction, density functional theory