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Personal profile

Research interests

My research consists of development and application of techniques for modelling functional materials. My current focus is the transport of ions through solids, with the goal of explaining the factors that control performance of lithium-ion battery materials.

Research interests

  • Lithium-ion solid electrodes and electrolytes.
  • Theory of complex ionic transport in solids.
  • The behaviour of crystal defects at surfaces and solid–solid interfaces "nanoionic" phenomena.
  • Phase stability and polymorphism in nanostructured materials.

Personal webpage

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Research Output

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Davies, D., Savory, C., Frost, J. M., Scanlon, D. O., Morgan, B. & Walsh, A., 16 Jan 2020, In : Journal of Physical Chemistry Letters. 11, 2, p. 438-444 7 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries

Koketsu, T., Ma, J., Morgan, B., Body, M., Legein, C., Goddard, P., Borkiewicz, O., Strasser, P. & Dambournet, D., 31 Mar 2020, In : Energy Storage Materials. 25, p. 154-163

Research output: Contribution to journalArticle

1 Citation (Scopus)

Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites

Morgan, B., 25 May 2020, (In preparation) In : Chemistry of Materials.

Research output: Contribution to journalArticle

Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12

Squires, A., Scanlon, D. O. & Morgan, B., 10 Mar 2020, In : Chemistry of Materials. 32, 5, p. 1876-1886 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Accelerated optimization of transparent, amorphous zinc-tin-oxide thin films for optoelectronic applications

Wahila, M. J., Lebens-Higgins, Z. W., Butler, K., Fritsch, D., Treharne, R. E., Palgrave, R. G., Woicik, J. C., Morgan, B., Walsh, A. & Piper, L. F. J., 1 Feb 2019, In : APL Materials. 7, 2, 022509.

Research output: Contribution to journalArticle

Open Access
  • 4 Citations (Scopus)
    96 Downloads (Pure)


    Materials discovery using chemical heuristics and high-throughput calculations

    Author: Davies, D., 13 Feb 2019

    Supervisor: Butler, K. (Supervisor), Walsh, A. (Supervisor) & Morgan, B. (Supervisor)

    Student thesis: Doctoral ThesisPhD