Field adsorption of hydrogen on metal surfaces.
Date
1992
Authors
Ye, Xiaoming.
Journal Title
Journal ISSN
Volume Title
Publisher
Dalhousie University
Abstract
Description
Various methods of generating electric fields in the vicinity of a metal surface are reviewed. In addition, the classical solution to Laplace's equation in parabolic coordinates is derived and quantum mechanical results for charged clusters are presented.
The Local Density Approximation jellium model and the Local Spin Density Approximation cluster model are used to calculate the adsorption of hydrogen on a jellium metal and on a Rh cluster in the presence of electric fields. Calculated binding energies and geometries are in good agreement with experimental data.
An extension of the LSDA cluster model to field adsorption of NO on Rh dimer is implemented with results that compare well with the latest experiment.
Thesis (Ph.D.)--Dalhousie University (Canada), 1992.
The Local Density Approximation jellium model and the Local Spin Density Approximation cluster model are used to calculate the adsorption of hydrogen on a jellium metal and on a Rh cluster in the presence of electric fields. Calculated binding energies and geometries are in good agreement with experimental data.
An extension of the LSDA cluster model to field adsorption of NO on Rh dimer is implemented with results that compare well with the latest experiment.
Thesis (Ph.D.)--Dalhousie University (Canada), 1992.
Keywords
Chemistry, Physical., Physics, Electricity and Magnetism.