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Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal–Organic Framework (2016)
Journal Article
Benson, O., da Silva, I., Argent, S. P., Cabot, R., Savage, M., Godfrey, H. G., Yan, Y., Parker, S. F., Manuel, P., Lennox, M. J., Mitra, T., Easun, T. L., Lewis, W., Blake, A. J., Besley, E., Yang, S., & Schröder, M. (2016). Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal–Organic Framework. Journal of the American Chemical Society, 138(45), 14828-14831. https://doi.org/10.1021/jacs.6b08059

An amide-functionalised metal organic frame-work (MOF) material, MFM-136, shows a high CO2 uptake of 12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first example of acylamide pyrimidyl isophthalate MOF without open metal sites, and thus provides a... Read More about Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal–Organic Framework.

Dynamic behavior of single Fe atoms embedded in graphene (2016)
Journal Article
Markevich, A. V., Baldoni, M., Warner, J. H., Kirkland, A. I., & Besley, E. (2016). Dynamic behavior of single Fe atoms embedded in graphene. Journal of Physical Chemistry C, 120(38), 21998-22003. https://doi.org/10.1021/acs.jpcc.6b06554

The effect of electron irradiation on the dynamic behavior of Fe atoms, embedded into monovacancy (Fe@MV) and divacancy (Fe@DV) defects in graphene, has been investigated using ab initio molecular dynamics. This study reveals the detailed mechanisms... Read More about Dynamic behavior of single Fe atoms embedded in graphene.

Electrostatic interactions between charged dielectric particles in an electrolyte solution (2016)
Journal Article
Derbenev, I. N., Filippov, A. V., Stace, A. J., & Besley, E. (2016). Electrostatic interactions between charged dielectric particles in an electrolyte solution. Journal of Chemical Physics, 145(8), Article 084103. https://doi.org/10.1063/1.4961091

Theory is developed to address a significant problem of how two charged dielectric particles interact in the presence of a polarizable medium that is a dilute solution of a strong electrolyte. The electrostatic force is defined by characteristic para... Read More about Electrostatic interactions between charged dielectric particles in an electrolyte solution.

Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes (2016)
Journal Article
McSweeney, R. L., Chamberlain, T. W., Baldoni, M., Lebedeva, M. A., Davies, E. S., Besley, E., & Khlobystov, A. N. (2016). Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes. Chemistry - A European Journal, 22(38), 13540-13549. https://doi.org/10.1002/chem.201602116

Electron‐transfer processes play a significant role in host–guest interactions and determine physicochemical phenomena emerging at the nanoscale that can be harnessed in electronic or optical devices, as well as biochemical and catalytic systems. A n... Read More about Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes.

Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters (2016)
Journal Article
Torre, A. L., 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., & Banhart, F. (2016). Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters. Nanoscale, 8(32), 15079-15085. https://doi.org/10.1039/c6nr03474h

© 2016 The Royal Society of Chemistry. We report on the growth and formation of single-layer boron nitride dome-shaped nanostructures mediated by small iron clusters located on flakes of hexagonal boron nitride. The nanostructures were synthesized in... Read More about Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters.

Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework (2016)
Journal Article
Carter, J. H., Savage, M., da Silva, I., Johnson, M., Newby, R., Suyetin, M., Besley, E., Manuel, P., Rudić, S., Fitch, A. N., Murray, C., David, W. I. F., Yang, S., & Schröder, M. (2016). Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework. Journal of the American Chemical Society, 138(29), 9119-9127. https://doi.org/10.1021/jacs.6b01323

The key requirement for a portable store of natural gas is to maximize the amount of gas within the smallest possible space. The packing of methane (CH4) in a given storage medium at the highest possible density is, therefore, a highly desirable but... Read More about Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal–Organic Framework.

Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework (2016)
Journal Article
Savage, M., da Silva, I., Johnson, M., Carter, J. H., Newby, R., Suyetin, M., Besley, E., Manuel, P., Rudić, S., Fitch, A. N., Murray, C., David, W. I., Yang, S., & Schröder, M. (2016). Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework. Journal of the American Chemical Society, 138(29), 9119-9127. https://doi.org/10.1021/jacs.6b01323.s003

The key requirement for a portable store of natural gas is to maximize the amount of gas within the smallest possible space. The packing of methane (CH4) in a given storage medium at the highest possible density is, therefore, a highly desirable but... Read More about Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.

Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor-acceptor triad (2016)
Journal Article
Lebedeva, M. A., Chamberlain, T. W., Scattergood, P. A., Delor, M., Sazanovich, I. V., Davies, E. S., Suyetin, M., Besley, E., Schröder, M., Weinstein, J. A., & Khlobystov, A. N. (in press). Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor-acceptor triad. Chemical Science, 9, https://doi.org/10.1039/c5sc04271b

Photoreduction of fullerene and the consequent stabilisation of a charge-separated state in a donor-acceptor assembly have been achieved, overcoming the common problem of a fullerene-based triplet state being an energy sink that prevents charge-separ... Read More about Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor-acceptor triad.

Effective Binding of Methane Using a Weak Hydrogen Bond (2016)
Journal Article
Henley, A., Bound, M., & Besley, E. (2016). Effective Binding of Methane Using a Weak Hydrogen Bond. Journal of Physical Chemistry A, 120(20), 3701-3709. https://doi.org/10.1021/acs.jpca.6b03331

The weak hydrogen bond is an important type of noncovalent interaction, which has been shown to contribute to stability and conformation of proteins and large biochemical membranes, stereoselectivity, crystal packing, and effective gas storage in por... Read More about Effective Binding of Methane Using a Weak Hydrogen Bond.