QUANTUM MECHANICAL STUDY OF ADSORPTION ON a-FERRIC OXIDE (111) SURFACE
QUANTUM MECHANICAL STUDY OF ADSORPTION ON a-FERRIC OXIDE (111) SURFACE
No Thumbnail Available
Date
1997-07
Authors
UZAIRU, ADAMU
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
An 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 physisorption
Description
A 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.
Keywords
QUANTUM,, MECHANICAL,, ADSORPTION,, a-FERRIC,, OXIDE,, SURFACE