QUANTUM MECHANICAL STUDY OF ADSORPTION ON a-FERRIC OXIDE (111) SURFACE

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dc.contributor.authorUZAIRU, ADAMU
dc.date.accessioned2014-02-10T10:06:36Z
dc.date.available2014-02-10T10:06:36Z
dc.date.issued1997-07
dc.descriptionA THESIS SUBMITTED TO THE POSTGRADUATE SCHOOL, AHMADU BELLO UNIVERSITY, ZARIA IN PARTIAL FULFILLMENT OF THE REQUIREMENT FOR THE DEGREE OF DOCTOR OF PHILOSOPHY (Ph.D.) CHEMISTRY DEPARTMENT OF CHEMISTRY FACULTY OF SCIENCE AHMADU BELLO UNIVERSITY, ZARIA - NIGERIA AUGUST, 1997.en_US
dc.description.abstractAn attempt has been made to study the energetics of physisorptive and chemisorptive adsorption of H1, OH- and NH3 on the (111) surface of a-Fe203. The physisorption energies of H4, 0H and NH-, were computed as -6.6173 x 10" , -2.5775 and -2.2766 KJ/mol respectively. Whereas the chemisorption of H+ ion was found to be in the range of -41 to -42 KJ/mol those of OH- and NH( fell in the ranges of -62 to -67 KJ/mol and -44 to -50 KJ/mol respectively. Furthermore, the results show that, most of H1 binding is by the surface oxygens. In the case of OH- and NH3 chemisorptions, the binding energies obtained suggest that the two adsorbates chemisorb through o-interactions only, while π- interactions lead to physisorptionen_US
dc.identifier.urihttp://hdl.handle.net/123456789/817
dc.language.isoenen_US
dc.subjectQUANTUM,en_US
dc.subjectMECHANICAL,en_US
dc.subjectADSORPTION,en_US
dc.subjecta-FERRIC,en_US
dc.subjectOXIDE,en_US
dc.subjectSURFACEen_US
dc.titleQUANTUM MECHANICAL STUDY OF ADSORPTION ON a-FERRIC OXIDE (111) SURFACEen_US
dc.typeThesisen_US
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