Tuning surface reactivity via quantum size effect

PHYS 443

Xin Liu1, Huimin Guo1, and Weixue Li2. (1) Department of Chemistry, Dalian University of Technology, Dalian, 116024, China, (2) State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Science, Dalian, 116023, China
Quantum size effect (QSE) has been studied extensively, as a primary driving force for nano technology. By first-principles calculations of ultrathin Pb(111) films, we show that the QSE is not merely a size effect but also symmetry driven. For this reason, quantum symmetry could be essential for near-field physics and especially important for surface reactivity, in particular, in the study of molecular adsorption, reactivity and catalysis to refine the current reactivity theory.