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Professor Neil L AllanM.A., D.Phil.(Oxon.), C.Chem.

Professor of Physical Chemistry

1 - 10 out of 216Page size: 10
  1. 2019
  2. Published

    Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface

    May, P., Allan, N. & James, M., 24 Jul 2019, In : Journal of Physics Condensed Matter. 31, 29, 1 p.

    Research output: Contribution to journalArticle

  3. E-pub ahead of print

    Lithium Oxide: A Quantum-corrected and Classical Monte Carlo Study

    Lavrentiev, M. Y., Allan, N. & Wragg, C., 25 Jun 2019, In : Physical Chemistry Chemical Physics. 9 p.

    Research output: Contribution to journalArticle

  4. Published

    Graphene and novel graphitic ZnO and ZnS nanofilms: the energy landscape, non-stoichiometry and water dissociation

    Conejeros, S., Allan, N., Hart, J. & Claeyssens, F., 1 May 2019, In : Nanoscale Advances. 1, 5, p. 1924-1935 12 p.

    Research output: Contribution to journalArticle

  5. Published

    Mixing Thermodynamics and Photocatalytic Properties of GaP-ZnS solid solutions: A Multi-Configurational Supercell Approach

    Shenoy, J., Hart, J., Grau-Crespo, R., Allan, N. & Cazorla, C., Mar 2019, In : Advanced Theory and Simulations. 2, 9 p., 1800146.

    Research output: Contribution to journalArticle

  6. E-pub ahead of print

    GaP-ZnS Multilayer Films: Visible-Light Photoelectrodes by Interface Engineering

    Park, C. K., Gharavi, P. S. M., Kurnia, F., Zhang, Q., Toe, C. Y., Al-Farsi, M., Allan, N., Yao, Y., Xie, L., He, J., Ng, Y. H., Valanoor, N. & Hart, J., 17 Jan 2019, In : Journal of Physical Chemistry C. 123, 6, p. 3336-3342 7 p.

    Research output: Contribution to journalArticle

  7. 2018
  8. Published

    A theoretical study of substitutional boron-nitrogen clusters in diamond

    Croot, A., Othman, M. Z., Conejeros, S., Fox, N. & Allan, N., 24 Oct 2018, In : Journal of Physics Condensed Matter. 30, 42, 10 p., 425501.

    Research output: Contribution to journalArticle

  9. E-pub ahead of print

    Calcite–magnesite solid solutions: using genetic algorithms to understand nonideality

    Allan, N., Thomas, L., Hart, J., Freeman, C. & Mohn, C., 28 Aug 2018, In : Physics and Chemistry of Minerals. 10 p.

    Research output: Contribution to journalArticle

  10. Published

    Negative electron affinity from aluminium on the diamond (1 0 0) surface: a theoretical study

    May, P., Allan, N., James, M. & Croot, A., 13 Jun 2018, In : Journal of Physics Condensed Matter. 30, 23, 10 p., 235002.

    Research output: Contribution to journalArticle

  11. E-pub ahead of print

    Adventures in boron chemistry – the prediction of novel ultra-flexible boron oxide frameworks

    Allan, N., Dale, H. J. A., Hart, J. N. & Claeyssens, F., 16 May 2018, In : Faraday Discussions. 23 p.

    Research output: Contribution to journalArticle

  12. 2017
  13. Published

    Piezoelectric effects in boron nitride nanotubes predicted by the atomistic finite element method and molecular mechanics

    Tolladay, M., Ivanov, D., Allan, N. L. & Scarpa, F., 31 Jul 2017, In : Nanotechnology. 28, 35, 355705.

    Research output: Contribution to journalArticle

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