2004/07/15 by Sergey Stolbov, Stolbov, Sergey, Talat S. Rahman +1
Chemistry · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Chemical and Physical Properties of Materials #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0407404
7 pages, 4 figures
arxiv created 2004/07/15 · openalex publication_date 2004/07/15 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Alkali metals are known as efficient promoters in heterogeneous catalysis but the nature of this phenomenon is as yet not understood. Our first principles calculations reveal a huge increase and delocalization of the isoelectronic reactivity index of Cu and Pd surfaces on alkali adsorption. We trace this phenomenon to an unusual feature in the surface potential formed by the adsorbate and propose it as a driving force for the "promotion effect". Our results also provide clues to some of the unusual optical properties of quantum wells formed when alkali adsorb on Cu surfaces.