Computational analysis of the defect chemistry of ceria
Citation:
Patrick R. L. Keating, 'Computational analysis of the defect chemistry of ceria', [thesis], Trinity College (Dublin, Ireland). School of Chemistry, 2013, pp 242Abstract:
One of the most important issues facing humanity is the impending threat of climate
change. In order to combat the rising levels of atmospheric pollutants, many new
technologies are being developed to alleviate the strain on the ecosystem. Ceria (Ce02)
is an important material for a variety of applications, from catalysts that remove harmful
chemical from the atmosphere, to fuel cells, a highly efficient and environmentally
friendly form of energy production. Due to its importance for these technologies, a
detailed description of the chemistry Ce02 would prove highly beneficial for explaining
current experimental observations and highlighting new avenues for future research.
The main aim of this work is to utilise computational chemistry techniques to gain a
detailed understanding on how defects influence and define the chemistry of Ce02, and
to ascertain methods for improving the function of Ce02 based materials.
Author: Keating, Patrick R. L.
Advisor:
Watson, GraemeQualification name:
Doctor of Philosophy (Ph.D.)Publisher:
Trinity College (Dublin, Ireland). School of ChemistryNote:
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thesisAvailability:
Full text availableKeywords:
Chemistry, Ph.D., Ph.D. Trinity College Dublin.Metadata
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