Projects per year
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.
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- 2 Similar Profiles
Density functional theory
Chemical Compounds
Titanium dioxide
Engineering & Materials Science
Lithium
Chemical Compounds
Intercalation
Engineering & Materials Science
Defects
Chemical Compounds
Vacancies
Engineering & Materials Science
Electronic structure
Chemical Compounds
density functional theory
Physics & Astronomy
Network
Recent external collaboration on country level. Dive into details by clicking on the dots.
Projects 2014 2021
MCC ARCHER time allocation 08/2018
Morgan, B., Squires, A. & O'Rourke, C.
1/08/18 → 1/02/19
Project: Research-related funding › Awarded Facility Time
Simulation of Lattice-Matched Interfaces for Li-ion Batteries
1/10/15 → 30/09/18
Project: Research council
Lithium
Electrolytes
Electrodes
Solid electrolytes
Crystal lattices
Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
1/10/14 → 30/09/19
Project: Research council
Optical properties of spinel ferrites
Morgan, B. & Fritsch, D.
1/08/16 → 1/02/17
Project: Research-related funding › Awarded Facility Time
Research Output 2004 2018
Controlled Fluorination Reaction of Anatase to Promote Mg2+ Mobility in Rechargeable Magnesium Batteries
Ma, J., Koketsu, T., Morgan, B., Legein, C., Body, M., Strasser, P. & Dambournet, D. 13 Aug 2018 (Accepted/In press) In : Chemical Communications.Research output: Contribution to journal › Article
Fluorination
Intercalation
Titanium dioxide
Magnesium
Vacancies
Electrochemical Storage Mechanism in Oxy-Hydroxyfluorinated Anatase for Sodium-Ion Batteries
Li, W., Fukunishi, M., Morgan, B. J., Borkiewicz, O. J., Pralong, V., Maignan, A., Groult, H., Komaba, S. & Dambournet, D. 1 May 2018 In : Inorganic Chemistry Frontiers. 5, 5, p. 1100-1106Research output: Contribution to journal › Article
Sodium
Ions
Vacancies
Titanium
Defects
Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4
O'Rourke, C. & Morgan, B. 17 Apr 2018 In : Physical Review Materials.Research output: Contribution to journal › Article
Open Access
File
solid electrolytes
spinel
interfacial tension
lithium
electrolytes
Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment
Ma, J., Li, W., Morgan, B., Światowska, J., Baddour-Hadjean, R., Body, M., Legein, C., Borkiewicz, O., Leclerc, S., Groult, H., Lantelme, F., Laberty-Robert, C. & Dambournet, D. 8 May 2018 In : Chemistry of Materials. 30, 9, p. 3078–3089Research output: Contribution to journal › Article
Intercalation
Titanium
Lithium
Titanium dioxide
Vacancies
Modelling Defects in Battery Materials
Squires, A. & Morgan, B. 5 Mar 2018Research output: Contribution to conference › Poster
Datasets
Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry: A DFT Study of Lithium Titanate Spinel Surfaces
Teobaldi, G. (Creator), DataCat: The University of Liverpool Research Data Catalogue, 12 Oct 2016
DOI: 10.17638/datacat.liverpool.ac.uk/209
Dataset
Data Analysis for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4"
O'Rourke, C. (Creator), Morgan, B. (Creator), Zenodo, 1 Dec 2017
DOI: 10.5281/zenodo.1069417, https://github.com/bjmorgan/data_NEB_spinel
Dataset
Dataset for "Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study"
Morgan, B. (Creator), Zenodo, 2 Jul 2017
Dataset
DFT Dataset for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4"
O'Rourke, C. (Creator), Morgan, B. (Creator), University of Bath, 8 Mar 2018
DOI: 10.15125/BATH-00438, https://doi.org/10.5281/zenodo.1170749
Dataset
Computational Dataset for "Reversible Magnesium and Aluminium-ions Insertion in Cation-Deficient Anatase TiO2"
Morgan, B. (Creator), Salanne, M. (Creator), Dambournet, D. (Creator), University of Bath, 11 Jul 2017
DOI: 10.15125/BATH-00397
Dataset