Potential energy surfaces for gas-surface reactions
Date
2011
Authors
Frankcombe, Terry
Collins, Michael
Journal Title
Journal ISSN
Volume Title
Publisher
Royal Society of Chemistry
Abstract
A method for constructing the potential energy surface for reactions of a molecule with the surface of cleaved non-conducting crystals is reported. The method uses systematic fragmentation to express the total potential in terms of potential energy surfaces which describe reactions of relatively small molecules in the gas phase. The approach is illustrated by an application to the reaction of hydrogen atoms with a hydrogen-terminated silicon(111) surface.
Description
Keywords
Citation
Collections
Source
Physical Chemistry Chemical Physics
Type
Journal article
Book Title
Entity type
Access Statement
License Rights
Restricted until
2037-12-31