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Selected Publications

Catalysis

4.	Direct formation of copper nanoparticles from atoms at graphitic step-edges lowers overpotential and improves selectivity of electrocatalitic CO2 reduction. Burwell, T., Thangamuthu, M., Aliev, G. N., Ghaderzadeh, S., Kohlrausch, E. C., Chen, Y., Theis, W., Norman, L. T., Fernandes, J. A., Besley, E., Licence, P. and Khlobystov, A. N. Communications Chemistry 7, 140 (2024).
3.	Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts. Cao, K., Zoberbier, T., Biskupek, J., Botos, A., McSweeney, R. L., Kurtoglu, A., Stopiello, C. T., Markevich, A. V., Besley, E., Chamberlain, T. W., Kaiser, U. and Khlobystov, A. N. Nature Communications 9, 3382 (2018).
2.	Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters. La Torre, A., Åhlgren, E. H., Fay, M. W., Ben Romdhane, F., Skowron, S. T., Parmenter, C., Davies, A. J., Jouhannaud, J., Pourroy, G., Khlobystov, A. N., Brown, P. D., Besley, E. and Banhart, F. Nanoscale 8, 15079 - 15085 (2016).
1.	Transition metal complexes of a salen-fullerene diad: redox and catalytically active nanostructures for delivery of metals in nanotubes. Lebedeva, M. A., Chamberlain, T. W., Davies E. S., Mancel, D., Thomas, B. E., Suyetin, M., Bichoutskaia, E., Schröder, M. and Khlobystov, A. N. European Journal of Chemistry, 19, 11999-12008 (2013).

Metal-organic frameworks

25.	Machine learning insights into predicting biogas separation in metal-organic frameworks. Cooley, I., Boobier, S., Hirst, J. D. and Besley, E. Communications Chemistry 7, 102 (2024).
24.	Understanding the electron beam resilience of two-dimensional conjugated metal-organic frameworks. Mücke, D., Cooley, I., Liang, B., Wang, Z., Park, S. W., Dong, R., Feng, X., Qi, H., Besley, E. and Kaiser, U. Nano Letters 24, 3014-3020 (2024).
23.	Do residual solvent molecules always hinder gas sorption in metal organic frameworks? Cooley, I. and Besley, E. Chemistry of Materials 36, 219-231 (2023).
22.	Electronic structure and d-d spectrum of metal-organic frameworks with transition metal ions. Popov, I., Raenko, D., Tchougréeff, A. and Besley, E. Journal of Physical Chemistry C 127, 21749-21757 (2023).
21.	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).
20.	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.
19.	A high-throughput screening of metal-organic framework based membranes for biogas upgrading. Glover, J. and Besley, E. Faraday Discussions 231, 235-257 (2021).
18.	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).
17.	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).
16.	Porous metal-organic plyhedra: morphology, porosity, and guest binding. Argent, S. P., da Silva, I., Greenaway, A., Savage, M., Humby, J., Davies, A. J., Nowell, H., Lewis, W., Manuel, P., Tang, C. C., Blake, A. J., George, M. W., Markevich, A. V., Besley, E., Yang, S., Champness, N. R. and Schröder, M. Inorganic Chemistry 59, 15646-15658 (2020).
15.	Pore-filling contamination in metal-organic frameworks. Glover, J. and Besley, E. Phys. Chem. Chem. Phys. 20, 23616-23624 (2018).
14.	Enhancement of CO2 uptake and selectivity in a metal-organic-framework by the incorporation of thiophene functionality. Bolotov, V. A., Kovalenko, K. A., Samsonenko, D. G., Han, X., Zhang, X., Smith, G. L., McCormick, L., Teat, S. J., Yang, S., Lennox, M. J., Henley, A., Besley, E., Fedin, V. P., Dybtsev, D. N. and Schröder, M. Inorganic Chemistry 57, 5074-5082 (2018).
13.	The right isotherms for the right reasons? Validation of generic force fields for prediction of methane adsorption in metal-organic frameworks Lennox, M. J., Bound, M., Henley, A. and Besley, E. Molecular Simulation 43, 828-837 (2017).
12.	Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks. Moreau, F., Kolokolov, D. I., Stepanov, A. G., Easun, T. L., Dailly, A., Lewis, W., Blake, A. J., Nowell, H., Lennox, M. J., Besley, E., Yang, S. and Schröder, M. Proceedings of the National Academy of Sciences 114, 3056-3061 (2017).
11.	Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal-organic frameworks. Henley, A., Lennox, M., Easun, T., Moreau, F., Schröder, M. and Besley, E. Journal of Physical Chemistry C 120, 27342-27348 (2016).
10.	Amides do not always work: observation of guest binding in an amide-functionalized porous metal-organic framework. Benson, O., da Silva, I., Argent, S., Cabot, R., Savage, M., Godfrey, H. G. W., Yan, Y., Parker, S. F., Manuel, P., Lennox, M. J., Mitra, T., Easun, T. L., Lewis, W., Blake, A. J., Besley, E., Yang, S. and Schröder, M. Journal of the American Chemical Society 138, 14828-14831 (2016).
9.	Observation of binding and rotation of methane and hydrogen within a functional metal-organic framework. Savage, M., da Silva, I., Johnson, M., Carter, J., Newby, R., Suyetin, M., Besley, E., Manuel, P., Rudic, S., Fitch, A., Murray, C., David, W., Yang, S. and Schröder, M. Journal of the American Chemical Society 138, 9119-9127 (2016).
8.	Effective binding of methane using weak hydrogen bond. Henley, A., Bound, M. and Besley, E. Journal of Physical Chemistry A 120, 3701-3709 (2016).
7.	A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity. Lü, J., Perez-Krap, C., Suyetin, M., Alsmail, N. H., Yan, Y., Yang, S., Lewis, W., Bichoutskaia, E., Tang, C. C., Blake, A. J., Cao, R. and Schröder, M. Journal of the American Chemical Society 136, 12828-12831 (2014).
6.	Methane adsorption in metal-organic frameworks containing nanographene linkers: a computational study. Bichoutskaia, E., Suyetin, M., Bound, M., Yan, Y. and Schröder, M. Journal of Physical Chemistry C 118, 15573-15580 (2014).
5.	A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption. Savage, M., Yang, S., Suyetin, M., Bichoutskaia, E., Blake, A. J., Barnett, S. A. and Schröder, M. Chemistry - A European Journal 20, 8024-8029 (2014).
4.	Analysis of high and selective uptake of CO2 in an oxamide-contaning {Cu2(OOCR)4} based metal organic framework. Alsmail, N. H., Suyetin, M., Yan Y., Cabot, R., Krap, C. P., Lü, J., Easun, T. L., Bichoutskaia, E., Lewis W., Blake, A. J. and Schröder, M. Chemistry - A European Journal 20, 7317-7324 (2014).
3.	Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal-organic polyhedral framework. Yan, Y., Suyetin, M., Bichoutskaia, E., Blake, A. J., Allan, D. R., Barnett, S. A. and Schröder, M. Edge Article. Chemical Science 4, 1731-1736 (2013).
2.	Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bi-functional metal-organic framework. Yang, W., Davies, A. J., Lin, X., Suyetin, M., Matsuda, R., Blake, A. J., Wilson, C., Lewis, W., Parker, J. E., Tang, C. C., George, M. W., Hubberstey, P., Kitagawa, S., Sakamoto, H., Bichoutskaia, E., Champness, N. R., Yang, S. and Schröder, M. Edge Article. Chemical Science 3, 2993-2999 (2012).
1.	A partially-interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide. Yang, S., Lin, X., Lewis, W., Suyetin, M., Bichoutskaia, E., Parker, J. E., Tang, C. C., Allan, D. R., Rizkallah, P. J., Hubberstey, P., Champness, N. R., Thomas, M. K., Blake, A. J. and Schröder, M. Nature Materials 11, 710-716 (2012).