A density-functional study of ammonia chemisorption on the gallium(5) arsenic(5) cluster: Single and double adsorptions

Simple item page
dc.contributor.advisorNordlander, Peter J.
dc.creatorMackey, Jeffrey Laurence
dc.date.accessioned2009-06-04T08:39:13Z
dc.date.available2009-06-04T08:39:13Z
dc.date.issued1995
dc.description.abstractI present a computational study of the reactivity between NH$\sb3$ and the $\rm Ga\sb5As\sb5$ cluster. A single NH$\sb3$ molecule approaches several sites on the cluster and the system is relaxed to its local lowest energy configuration. In this study, gallium sites are found to lead to lower total energies, due to greater contributions to densities of states near the Fermi level. Two ammonia molecule are then allowed to react with the cluster in sequence, each approaching different sites. Interaction at one site is seen to reduce the reactivity at other sites. These results are discussed in light of experimental studies performed on these clusters.
dc.format.extent46 p.en_US
dc.format.mimetypeapplication/pdf
dc.identifier.callnoTHESIS PHYS. 1995 MACKEY
dc.identifier.citationMackey, Jeffrey Laurence. "A density-functional study of ammonia chemisorption on the gallium(5) arsenic(5) cluster: Single and double adsorptions." (1995) Master’s Thesis, Rice University. <a href="https://hdl.handle.net/1911/17051">https://hdl.handle.net/1911/17051</a>.
dc.identifier.urihttps://hdl.handle.net/1911/17051
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectPhysical chemistry
dc.subjectMolecular physics
dc.subjectCondensed matter physics
dc.titleA density-functional study of ammonia chemisorption on the gallium(5) arsenic(5) cluster: Single and double adsorptions
dc.typeThesis
dc.type.materialText
thesis.degree.departmentPhysics
thesis.degree.disciplineNatural Sciences
thesis.degree.grantorRice University
thesis.degree.levelMasters
thesis.degree.nameMaster of Science
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
1382742.PDF
Size:
1.71 MB
Format:
Adobe Portable Document Format
Download
Collections
Rice University Electronic Theses and Dissertations