Engineering and Materials and Computing and Informatics Research Seminar

Physics Seminar: Flourine at the Ceria Surface: Identification, Distribution and Chemical Effects

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As part of the School of Science and Technology's Joint Seminar Programme for the Engineering and Materials and Computing Informatics Research Centres, Dr Matthew Wolf, University of Bath presents: Physics Seminar: Flourine at the Ceria Surface: Identification, Distribution and Chemical Effects.

  • From: Wednesday 28 February 2018, 1 pm
  • To: Wednesday 28 February 2018, 2 pm
  • Location: 015, CELS, Nottingham Trent University, Clifton Campus, Clifton Lane, Nottingham, NG11 8NS

Past event

Event details

As part of the School of Science and Technology's Joint Seminar Programme for the Engineering and Materials and Computing Informatics Research Centres, Dr Matthew Wolf, University of Bath presents: Physics Seminar: Flourine at the Ceria Surface: Identification, Distribution and Chemical Effects.

Abstract

Cerium Dioxide (CeO2, ceria) is a prototypical reducible oxide with a broad range of applications, particularly in the field of heterogeneous catalysis. This is due to its ability to release and absorb oxygen depending on environmental conditions, or, in other words, the facility with which oxygen vacancies in the lattice are formed and healed. Consequently, much research effort has been expended on characterising such defects. Recently, evidence has emerged that ceria is readily contaminated with fluorine, and indeed, contamination may be impossible to avoid completely. Despite this evidence, fluorinated ceria remains very little studied.

In the talk, I will present some of the research that we have done on fluorine defects at the (111) surface facet of ceria. Using the results of density-functional-theory (DFT) calculations, I will argue that defects which were identified as oxygen vacancies in the seminal STM experiments of Esch and co-workers were probably fluorine impurities, based on the apperance and properties of both defects. I will show how, using a simple forcefield derived from DFT calculations, we can go beyone the 0 K limit of DFT to investigate the effects of temperature on the distribution of the defects. Finally, I will present some simple calculations to try to determine the possible effects of fluorine on the chemistry of ceria(111)

This seminar is hosted by Dr Christopher Castleton

Location details

Room/Building:

015, CELS

Address:

Nottingham Trent University
Clifton Campus
Clifton Lane
Nottingham
NG11 8NS

Past event

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