Article

Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Rowe, R., Palgrave, R. G., Matthews, R. P., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Hunt, P. A. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) Efficient prediction of the local electronic structure of ionic liquids from low-cost calculations. Physical Chemistry Chemical Physics, 27 (17). pp. 8803-8812. ISSN 1463-9084 doi: 10.1039/D5CP00892A

Seymour, J. M., Gousseva, E., Parker, L. G. ORCID: https://orcid.org/0000-0001-8727-4116, Towers Tompkins, F. K., Fogarty, R. M., Frankemoelle, L., Rowe, R. ORCID: https://orcid.org/0000-0003-3074-2040, Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Duncan, D. A. ORCID: https://orcid.org/0000-0002-0827-2022, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Hunt, P. A. ORCID: https://orcid.org/0000-0001-9144-1853 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2025) d10s2 post-transition metal anions: identifying and analyzing their dual-mode Lewis basicity. Journal of Physical Chemistry Letters, 6 (11). pp. 2831-2836. ISSN 1948-7185 doi: 10.1021/acs.jpclett.4c03649

Towers Tompkins, F. K., Parker, L. G., Fogarty, R. M., Seymour, J. M., Gousseva, E., Grinter, D. C., Palgrave, R. G., Smith, C. D. ORCID: https://orcid.org/0000-0002-5911-5836, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Matthews, R. P. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Controlling and predicting alkyl-onium electronic structure. Chemical Communications, 60 (77). pp. 10756-10759. ISSN 1364-548X doi: 10.1039/D4CC03388D

Gousseva, E., Towers Tompkins, F. K., Seymour, J. M., Parker, L. G. ORCID: https://orcid.org/0000-0001-8727-4116, Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Anion-dependent strength scale of interactions in ionic liquids from x-ray photoelectron spectroscopy, ab initio molecular dynamics, and density functional theory. The Journal of Physical Chemistry B, 128 (20). pp. 5030-5043. ISSN 1520-6106 doi: 10.1021/acs.jpcb.4c00362

Seymour, J. M., Gousseva, E., Towers Tompkins, F., Parker, L. G., Alblewi, N. O., Clarke, C. J., Hayama, S., Palgrave, R. G., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Matthews, R. P. and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2024) Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations. Faraday Discussions, 253. pp. 251-272. ISSN 1359-6640 doi: 10.1039/D4FD00029C

Large, A. I., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Eralp-Erden, T. and Held, G. (2022) In situ surface analysis of palladium-platinum alloys in methane oxidation conditions. Faraday Discussions, 236. pp. 157-177. ISSN 1364-5498 doi: 10.1039/D1FD00113B

Seymour, J. M. ORCID: https://orcid.org/0000-0002-1217-9541, Gousseva, E., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Large, A. I. ORCID: https://orcid.org/0000-0001-8676-4172, Held, G. ORCID: https://orcid.org/0000-0003-0726-4183, Hein, D., Wartner, G., Quevedo, W., Seidel, R. ORCID: https://orcid.org/0000-0003-2613-4106, Kolbeck, C., Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Fogarty, R. M. ORCID: https://orcid.org/0000-0002-2617-4207, Bourne, R. A. ORCID: https://orcid.org/0000-0001-7107-6297, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486, Hunt, P. A. ORCID: https://orcid.org/0000-0001-9144-1853 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2022) Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states. Faraday Discussions, 236. 389. ISSN 1364-5498 doi: 10.1039/d1fd00117e

Large, A. ORCID: https://orcid.org/0000-0001-8676-4172, Seymour, J. ORCID: https://orcid.org/0000-0002-1217-9541, Quevedo Garzon, W., Roy, K. ORCID: https://orcid.org/0000-0003-0802-7710, Venturini, F., Grinter, D. C. ORCID: https://orcid.org/0000-0001-6089-119X, Artiglia, L. ORCID: https://orcid.org/0000-0003-4683-6447, Brooke, E., de Gutierrez, M. B., Raj, A., Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Eralp-Erden, T. and Held, G. ORCID: https://orcid.org/0000-0003-0726-4183 (2021) Operando characterisation of alumina-supported bimetallic Pd–Pt catalysts during methane oxidation in dry and wet conditions. Journal of Physics D: Applied Physics, 54 (17). 174006. ISSN 1361-6463 doi: 10.1088/1361-6463/abde67

Seymour, J. M. ORCID: https://orcid.org/0000-0002-1217-9541, Gousseva, E., Large, A. I. ORCID: https://orcid.org/0000-0001-8676-4172, Clarke, C. J. ORCID: https://orcid.org/0000-0003-2698-3490, Licence, P. ORCID: https://orcid.org/0000-0003-2992-0153, Fogarty, R. M. ORCID: https://orcid.org/0000-0002-2617-4207, Duncan, D. A. ORCID: https://orcid.org/0000-0002-0827-2022, Ferrer, P. ORCID: https://orcid.org/0000-0001-9807-7679, Venturini, F., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Palgrave, R. G. ORCID: https://orcid.org/0000-0003-4522-2486 and Lovelock, K. R. J. ORCID: https://orcid.org/0000-0003-1431-269X (2021) Experimental measurement and prediction of ionic liquid ionisation energies. Physical Chemistry Chemical Physics, 23 (37). pp. 20957-20973. ISSN 1463-9076 doi: 10.1039/D1CP02441H

Bowker, M., Klink, B. U., Lass, K. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2020) A simple angle-resolved thermal molecular beam reactor: applied to CO oxidation on Pt{110}. Catalysts, 10 (11). 1229. ISSN 2073-4344 doi: 10.3390/catal10111229

Quevedo, W., Ontaneda, J., Large, A., Seymour, J. M., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Held, G. (2020) Adsorption of aspartic acid on Ni{100}: a combined experimental and theoretical study. Langmuir, 36 (32). pp. 9399-9411. ISSN 0743-7463 doi: 10.1021/acs.langmuir.0c01175

Nicklin, R. E. J., Shavorskiy, A., Aksoy Akgul, F., Liu, Z., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Sacchi, M. and Held, G. (2018) “Pop-on and pop-off” surface chemistry of alanine on Ni{111} under elevated hydrogen pressures. The Journal of Physical Chemistry C, 122 (14). pp. 7720-7730. ISSN 1932-7447 doi: 10.1021/acs.jpcc.8b00186

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Etman, H. A., Hicks, H., Richards, L., Wu, C., Castell, M. R., Dhesi, S. S. and Maccherozzi, F. (2018) Magnetic iron oxide nanowires formed by reactive dewetting. Nano Letters, 18 (4). pp. 2365-2372. ISSN 1530-6992 doi: 10.1021/acs.nanolett.7b05310

Leroux, F., Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510, Lewis, D. and Colquhoun, H. M. (2018) Trifluoromethylation of carbonyl groups in aromatic poly(ether ketone)s: formation of strongly polar yet surface-hydrophobic poly(arylenenecarbinol)s. Macromolecules, 51 (9). pp. 3415-3422. ISSN 0024-9297 doi: 10.1021/acs.macromol.8b00017

Tsaousis, P., Ontaneda, J., Bignardi, L., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 and Held, G. (2018) A combined experimental and theoretical study of methyl acetoacetate adsorption on Ni{100}. The Journal of Physical Chemistry C, 122 (11). pp. 6186-6194. ISSN 1932-7447 doi: 10.1021/acs.jpcc.8b00204

Nicklin, R. E. J., Cornish, A., Shavorskiy, A., Baldanza, S., Schulte, K., Liu, Z., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 and Held, G. (2015) Surface chemistry of alanine on Ni{111}. Journal of Physical Chemistry C, 119 (47). pp. 26566-26574. ISSN 1932-7447 doi: 10.1021/acs.jpcc.5b08814

Ontaneda, J., Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510 and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Electronic structure of Pd multi-layers on Re(0001): the role of charge transfer. Journal of Physical Chemistry C, 119 (41). pp. 23436-23444. ISSN 1932-7447 doi: 10.1021/acs.jpcc.5b06070

Tillotson, M., Brett, P., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 and Grau-Crespo, R. ORCID: https://orcid.org/0000-0001-8845-1719 (2015) Adsorption of organic molecules at the TiO2(110) surface: the effect of van der Waals interactions. Surface Science, 632 (142). pp. 142-153. ISSN 0039-6028 doi: 10.1016/j.susc.2014.09.017

Etman, H.A., Held, G., Jenkins, S.J. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2013) Structure and stress of Re(11%21); chiral terraces at a racemic surface. Physical Chemistry Chemical Physics, 15 (48). pp. 20823-20829. ISSN 1463-9076 doi: 10.1039/c3cp53165a

Rayner, D. G., Mulley, J. S. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2013) Copper deposition on TiO2 from copper(II)hexafluoroacetylacetonate. Journal of Vacuum Science and Technology A, 31 (1). 01A121. ISSN 1520-8559 doi: 10.1116/1.4765644

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Mulley, J. S., Etman, H. A., Sparkes, A., Eralp, T., Held, G., Cavill, S. A. and Dhesi, S. S. (2012) Chromium nanostructures formed by dewetting of heteroepitaxial films on W(100). Physical Review B, 86 (4). 045454. ISSN 1098-0121 doi: 10.1103/PhysRevB.86.045454

Vaiyapuri, R., Greenland, B. W., Elliott, J. M. ORCID: https://orcid.org/0000-0001-7469-4154, Hayes, W. ORCID: https://orcid.org/0000-0003-0047-2991, Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Cardin, C. J. ORCID: https://orcid.org/0000-0002-2556-9995, Colquhoun, H. M., Etman, H. and Murray, C. A. (2011) Pyrene-Modified quartz crystal microbalance for the detection of polynitroaromatic compounds. Analytical Chemistry, 83 (16). pp. 6208-6214. ISSN 0003-2700 doi: 10.1021/ac200755c

Etman, H. A., Zheleva, Z. V., Held, G. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2011) Epitaxial growth of ultrathin palladium films on Re{0001}. The Journal of Physical Chemistry C, 115 (10). pp. 4191-4199. ISSN 1932-7447 doi: 10.1021/jp112136f

Mulheran, P. A., Nolan, M., Browne, C. S., Basham, M., Sanville, E. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2010) Surface and interstitial Ti diffusion at the rutile TiO2(110) surface. Physical Chemistry Chemical Physics, 12 (33). pp. 9763-9771. ISSN 1463-9076 doi: 10.1039/C002698K

Cornish, A., Eralp, T., Shavorskiy, A., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Held, G. F. K., Cavill, S.A., Potenza, A., Marchetto, H. and Dhesi, S.S. (2010) Oxidation of polycrystalline Ni studied by spectromicroscopy: Phase separation in the early stages of crystallite growth. Physical Review B, 81 (8). 085403. ISSN 1098-0121 doi: 10.1103/PhysRevB.81.085403

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Mulley, J.S., Basham, M., Nolan, M., Elliott, S.D. and Mulheran, P.A. (2009) Non-stoichiometric oxide and metal interfaces and reactions. Applied Physics A, 96 (3). pp. 543-548. ISSN 0947-8396 doi: 10.1007/s00339-008-5066-1

Nolan, M., Mulley, J. S. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2009) Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface. Physical Chemistry Chemical Physics, 11. pp. 2156-2160. ISSN 1463-9076 doi: 10.1039/b819724e

Bowker, M. and Bennett, R.A. ORCID: https://orcid.org/0000-0001-6266-3510 (2009) The role of Ti3+ interstitials in TiO2(110) reduction and oxidation. Journal of Physics-Condensed Matter, 21 (47). p. 9. ISSN 0953-8984 doi: 10.1088/0953-8984/21/47/474224

Mulley, J.S., Bennett, R.A. ORCID: https://orcid.org/0000-0001-6266-3510 and Dhanak, V.R. (2008) Adsorption, orientation and thermal decomposition of copper(II) hexafluoroacetylacetonate on rutile TiO2(110). Surface Science, 602 (18). 2967-2974 . ISSN 0039-6028 doi: 10.1016/j.susc.2008.07.026

Nolan, M., Elliott, S. D., Mulley, J. S., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Basham, M. and Mulheran, P. (2008) Electronic structure of point defects in controlled self-doping of the TiO2 (110) surface: Combined photoemission spectroscopy and density functional theory study. Physical Review B, 77 (23). 235424. ISSN 1098-0121 doi: 10.1103/PhysRevB.77.235424

Mulheran, P. .A., Pellenc, D., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Green, R. J. and Sperrin, M. (2008) Mechanisms and dynamics of protein clustering on a solid surface. Physical Review Letters, 100 (6). 068102. ISSN 0031-9007 doi: 10.1103/PhysRevLett.100.068102

Pellenc, D., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Green, R. G., Sperrin, M. and Mulheran, P. A. (2008) New insights on growth mechanisms of protein clusters at surfaces: an AFM and simulation study. Langmuir, 24 (17). pp. 9648-9655. ISSN 0743-7463 doi: 10.1021/la801246k

Basham, M. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2007) Solving surface structures from normal incidence X-ray standing wave data. Computer Physics Communications, 177 (5). pp. 459-466. ISSN 0010-4655 doi: 10.1016/j.cpc.2007.05.006

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Mulley, J., Newton, M.A. and Surman, M. (2007) Spectroscopy of ultrathin epitaxial rutile TiO[sub 2](110) films grown on W(100). The Journal of Chemical Physics, 127 (8). 084707. ISSN 0021-9606 doi: 10.1063/1.2756842

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, McCavish, N., Basham, M., Dhanak, V. and Newton, M. (2007) Structure of adsorbed organometallic rhodium: model single atom catalysts. Physical Review Letters, 98 (5). 056102. ISSN 0031-9007 doi: 10.1103/PhysRevLett.98.056102

Poulston, S., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Faraldi, P., Hyde, T. I., Pidria, M. F., Houel, V., Wagland, A. and R. A. (2005) Characterization of protective coatings for planar automotive gas sensors. Sensors And Actuators B-Chemical, 110 (2). pp. 209-217.

Bowker, M., Stone, P., Morrall, P., Smith, R., Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510, Perkins, N., Kvon, R., Pang, C., Fourre, E. and Hall, M. (2005) Model catalyst studies of the strong metal-support interaction: Surface structure identified by STM on Pd nanoparticles on TiO2(110). Journal of Catalysis, 234 (1). pp. 172-181. doi: 10.1016/j.jcat.2005.05.024

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 and McCavish, N. D. (2005) Non-stoichiometric oxide surfaces and ultra-thin films: Characterisation of TiO2. Topics In Catalysis, 36 (1-4). pp. 11-19.

Bowker, M., Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 and Jones, I. Z. ORCID: https://orcid.org/0000-0002-7738-2516 (2004) CO Oxidation and the CO/NO Reaction on Pd(110) Studied Using "Fast" XPS and a Molecular Beam Reactor. Topics In Catalysis, 28 (1/4). pp. 25-30.

Bowker, M., James, D., Stone, P., Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510, Perkins, N., Millard, L., Greaves, J. and Dickinson, A. (2003) Catalysis at the metal-support interface: exemplified by the photocatalytic reforming of methanol on Pd/TiO2. Journal Of Catalysis, 217. pp. 427-433. doi: 10.1016/S0021-9517(03)00074-5

Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510, Tarr, D.M. and Mulheran, P.A. (2003) Ripening processes in supported and pinned nanoclusters - experiment, simulation and theory. Journal of Physics, Condensed Matter, 15. S3139-3152.

McCavish, N.D. and Bennett, R. A. ORCID: https://orcid.org/0000-0001-6266-3510 (2003) Ultra thin film growth of titanium dioxide On W (100). Surface Science, 546. pp. 47-56.

Book or Report Section

Bowker, M. and Bennett, R. ORCID: https://orcid.org/0000-0001-6266-3510 (2010) Surface science studies of strong metal-oxide interactions on model catalysts. In: Rioux, R. (ed.) Model systems in catalysis: single crystals to supported enzyme mimics. Springer, pp. 155-174. ISBN 9780387980416