Surfaces and interfaces

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PhD position in Computational Chemistry: School ... (No replies)

dzanel
3 weeks ago
dzanel 3 weeks ago

Starting Date: October 2018

Title: Computer-aided design of transition metal phosphide materials for photovoltaic and photocatalytic applications

PhD Advisor: Dr. Nelson Dzade (Cardiff University)

Description: A PhD position is available at the School of Chemistry, Cardiff University in the group of Dr. Nelson Dzade in the area of first-principles modeling of transition metal phosphides (TMPs) for photocatalytic and solar energy conversion applications. The project is part of an EPSRC funded research on “Computer-aided design of zinc phosphide heterojunctions for efficient solar energy conversion”, which will deal with band-gap engineering, structure-property relationships description, and understanding of the surface/interfacial and electronic/optical properties of transition metal phosphides (including zinc phosphides) for photovoltaic and photocatalytic applications, using density functional theory (DFT) and beyond. The research will involve collaborations with experimental researchers at the Centre of Solar Energy Research (CSER) at Swansea University.

We invite applications from highly qualified and motivated individuals with Master of Science degree Master’s degree in Chemistry/Physics or Materials Science or relevant experience. Prior experience with density functional theory methods and computer programming skills will be an advantage. Further requirements include good written and oral communication skills in English, ability to work independently and to cooperate with project partners.

Please send your application (including a one-page cover letter addressing your research interests and motivation, curriculum vitae, copies of Master/BSc certificates and contact information of two references) to    Dr. Nelson Dzade ([email protected]). Since the expected starting date is soon, priority will be given to candidates available as soon as possible.

Further information: 

https://www.cardiff.ac.uk/chemistry

http://www.cardiff.ac.uk/study/postgraduate/funding/view/phd-in-computational-chemistry2




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Ab initio (from electronic structure) calculation of complex processes in materials