Computational Modelling Group

Seminar  7th March 2012 3 p.m.  Building 5, Room 2015

Materials/Bio/nCATS

Dr. Denis Kramer
University of Southampton

Web page
http://www.soton.ac.uk/engineering/about/staff/dk2u09.page
Categories
Materials
Submitter
Luke Goater

Dr. Denis Kramer

Electrochemical energy conversion technologies are central to any future energy scenario because they surpass the Carnot factor and are highly efficient. However, significant materials challenges need to be addressed before they become competitive in the market place; and they need to be addressed quickly. Fuel cells need cheaper and more durable catalysts. Batteries need lighter and inherently safe active materials. In this talk I will give an overview of my past contributions to solve these materials challenges and an outlook of my strategy for future research. I will demonstrate how the morphology of active materials for Li-Ion batteries can be understood and tailored from First Principles and touch on the stability of binary metal catalysts for fuel cell applications. Finally, performing First Principles computations in high-throughput mode allows to scale- and speed-up the discovery of materials, and I will give some examples where this already proved successful.

This seminar is part of the joint research group initiative and researchers from ALL groups (Bio, Materials and nCATS) should attend. Others also are welcome.

Tea, coffee and biscuits will be served from 14:45.