Sökning: "Wenhua Zhang"

Hittade 1 avhandling innehållade orden Wenhua Zhang.

1. 1. First Principles Studies on Chemical and Electronic Structures of Adsorbates

   Författare :Wenhua Zhang; Yi Luo; Gianfranco Pacchioni; KTH; []
   Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Solid state chemistry; Fasta tillståndets kemi; Computational physics; Beräkningsfysik; Surfaces and interfaces; Ytor och mellanytor;

   Sammanfattning : In this thesis, we focus on theoretical study of adsorbates on metal and oxide surfaces that are important for surface chemistry and catalysis. Based on first principles calculations, the adsorption ofCO, NO, NO2, C4H6S2, C22H27SH and other molecules or radicals on nobel metal surfaces (gold and silver) are investigated. LÄS MER