Jack Wadey

PhD Student

Jack Wadey was awarded his BSc in Natural Sciences from the University of Nottingham in 2013, with a focus on Mathematics and Chemistry. He then stayed on at the University to complete an MSc (by Research) degree in Chemistry in 2014 with Dr. Nick Besley. Within this year he worked on determining the structure of mixed component radical cation clusters using the basin hopping search technique, as well as developing optimised hybrid and short range corrected functionals for computing XES using time-dependent DFT. Currently he is working towards his PhD at Nottingham with Dr. Elena Bichoutskaia on the computational modelling of structural defects in graphene.

Current Research Project

Computational modelling of irradiation-induced structure change in transmission electron microscopy.

Research Interests

The structure and effects of lattice defects within graphene.

The minimum energy pathways and diffusion barriers of vacancies in graphene.

List of Publications
Mechanisms of monovacancy diffusion in graphene.
Wadey, J. D., Markevich, A., Robertson, A., Warner, J., Kirkland, A. and Besley, E.
Chem. Phys. Lett. 648, 161-165 (2016).
DOI: http://dx.doi.org/10.1016/j.cplett.2016.02.005
Quantum chemical calculations of X-ray emission spectroscopy.
Wadey, J. D. and Besley, N. A.
J. Chem. Theory Comput. 10, 4557-4564 (2014).
DOI: http://dx.doi.org/10.1021/ct500566k