Recent Publications

Announcing the winner of the inaugural Nano Letters Seed grant program, East Asia region.
Besley, E. and Nuckolls, C.
Nano Letters 22, 6463-6464 (2022).
DOI: http://dx.doi.org/10.1021/acs.nanolett.2c03054
Open Access
Manipulating interactions between dielectric particles with electric fields: A general electrostatic many-body framework.
Hassan, M., Williamson, C., Baptiste, J., Braun, S., Stace, A. J., Besley, E. and Stamm, B.
Journal of Chemical Theory and Computation 18, 6281-6296 (2022).
DOI: http://dx.doi.org/10.1021/acs.jctc.2c00008
Open Access
Effective Hamiltonian of crystal field method for periodic systems containing transition metals.
Popov, I., Plekhanov, E., Tchougréeff, A. and Besley, E.
Molecular Physics, e2106905 (2022).
DOI: http://dx.doi.org/10.1080/00268976.2022.2106905
Open Access
Computational predictions for effective separation of Xenon/Krypton gas mixtures in the MFM family of metal-organic frameworks.
Cooley, I., Efford, L. and Besley, E.
Journal of Physical Chemistry C 126, 11475-11486 (2022).
DOI: http://dx.doi.org/10.1021/acs.jpcc.2c02237
Open Access
Designing stable binary endohedral fullerene lattices.
Miller, A., Halstead, M., Besley, E. and Stace, A. J.
Physical Chemistry Chemical Physics 24, 10044-10052 (2022).
DOI: http://dx.doi.org/10.1039/D2CP00196A
Modelling sorption and diffusion behaviour in porous solids.
Glover, J. and Besley, E.
Chapter 4 in Computer Simulation of Porous Materials: Current Approaches and Future Opportunities. Inorganic Materials Series. The Royal Society of Chemistry 2022.
DOI: https://pubs.rsc.org/en/content/ebook/9781788019002
Open Access
A high-throughput screening of metal-organic framework based membranes for biogas upgrading.
Glover, J. and Besley, E.
Faraday Discussions 231, 235-257 (2021).
DOI: http://doi.org/10.1039/D1FD00005E
Open Access
The influence of surface charge on the coalescence of ice and dust particles in the mesosphere and lower thermosphere.
Baptiste, J., Williamson, C., Fox, J., Stace, A. J., Hassan, M., Braun, S., Stamm,B., Mann, I. and Besley, E.
Atmospheric Chemistry and Physics 21, 8735-8745 (2021).
DOI: https://dx.doi.org/10.5194/acp-21-8735-2021
Open Access
Fission gas released from molten salt reactor fuel: the case of noble gas short life radioisotopes for radiopharmaceutical application.
Degueldre, C., Dawson, R., Cooley, I. and Besley, E.
Medicine in Novel Technology and Devices 10, 100057 (2021).
DOI: http://doi.org/10.1016/j.medntd.2021.100057
Selective gas uptake and rotational dynamics in a (3,24)-connected metal-organic framework material.
Trenholme, W. J. F., Kolokolov, D. I., Bound, M., Argent, S. P., Gould, J. A., Li J., Barnett, S. A., Blake, A. J., Stepanov, A. G., Besley, E., Easun, T. L., Yang, S. and Schröder, M.
Journal of the American Chemical Society 143, 3348-3358 (2021).
DOI: https://dx.doi.org/10.1021/jacs.0c11202
N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach.
Enujekwu, F. M., Zhang, Y., Ezeh, C. I., Zhao, H., Xu, M., Besley, E., George, M. W., Besley, N. A., Do, H. and Wu, T.
Applied Surface Science 542, 148556 (2021).
DOI: http://dx.doi.org/10.1016/j.apsusc.2020.148556