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Dr. Ian Shuttleworth

School of Science and Technology, Nottingham Trent University, United Kingdom

 

Talk Title
Under pressure: Exploring the Effects of Strain across Nanoparticle Surfaces

Talk Abstract
 

Core-shell nanoparticles have been seen to demonstrate enhanced catalytic activity in a series of reactions including both the steam and dry reformation of methane, the water-gas shift and Boudouard reactions, and the oxygen reduction reaction (ORR). These processes are significant as they are key stages in alternative energy storage. The nanoparticles used in these reactions are composed of an alloy core which is covered with a pure metal shell, and consequently an epitaxial mismatch will exist between the pure metal and the alloy. This mismatch has been created in a wide range of both thin film and core-shell studies and, generally, studies of these systems focus on the consequences of this mismatch.

The rational design of nanoparticle catalysts asks questions about how to prepare the most effective materials for a particular application. The choice of alloy stoichiometry, mechanical and thermal processing and consequential facet formation and shell thickness are particularly pertinent. Experimentally, considerable progress has been made against this problem but computationally the problem is complex and notably expensive. An accessible route to explore the mechanisms of this catalytic activity ‘in-silico’ has been developed in the authors group and applied to sequences of both bulk and surface systems. The technique of ‘strain-engineering’ applies a tensile or compressive force and then characterizes the response of the system; this response is then openly compared with the catalytic character of the system. This keynote presentation will discuss the paradigm of core-shell nanoparticles with some focus towards energy-storage applications of this type of material. The presentation will then review progress made within the authors group to develop an understanding of the behavior of these materials with a particular focus on those with energy-storage capabilities and those which are active towards the oxygen reduction reaction.

This talk will appeal to those interested in the underlying mechanisms of applied energy, and how understanding these mechanisms can potentially explain why certain materials perform well in applied energy.

Short Biography

Ian Shuttleworth started his career with a PhD in Surface Physics earned at the Cavendish Laboratories, Cambridge University. He then took up post-doctoral positions at both the University of Nottingham and then Rutgers University, before accepting a faculty position in the Middle East. He has subsequently returned to the UK and to the position he currently holds at Nottingham Trent University. He is the author of over 38 research publications in the field of surface science and catalysis and, broadly speaking, his current research focus is into the interactions of small molecules with metal surfaces that are either in their equilibrium state, or that are under a state of either compressive or tensile strain. To model these interactions, Ian has extensively used the technique of Density Functional Theory (DFT) and has recently crossed the pressure gap using Reactive Force Field (ReaxFF) methods.

 
Talk Keywords
Strain engineering; Nanoparticle surfaces; Oxygen Reduction Reaction; ORR; Density Functional Theory; DFT.
 
Target Audience
Stuents, Academica and Industry
 
Speaker-intro video
TBA 
 

The International Conference on Innovative Applied Energy (IAPE’18)