Faraday Institute Call - Multi-Scale Modelling

Islam, Saiful (PI)
Morgan, Benjamin (CoI)

Department of Chemistry

Project: Research council

Status	Finished
Effective start/end date	1/03/18 → 30/06/21

Collaborative partners

University of Bath
Imperial College London (lead)
University College London
University of Oxford
University of Southampton
University of Warwick
Lancaster University

Funding

Engineering and Physical Sciences Research Council

9 Article
1 Review article

From Atoms to Cells: Multiscale Modeling of LiNi_xMn_yCo_zO₂Cathodes for Li-Ion Batteries
Morgan, L., Islam, R., Yang, H. Y., O'Regan, K., Patel, A. N., Ghosh, A., Kendrick, E., Marinescu, M., Offer, G. J., Morgan, B., Islam, M., Edge, J. & Walsh, A., 14 Jan 2022, In: ACS Energy Letters. 7, 1, p. 108-122 15 p.
Research output: Contribution to journal › Review article › peer-review

Open Access
File
27 Citations (SciVal)

514 Downloads (Pure)
Impact of Solution Chemistry on Growth and Structural Features of Mo-Substituted Spinel Iron Oxides
Haouari, C., Squires, A. G., Berthelot, R., Stievano, L., Sougrati, M. T., Morgan, B. J., Lebedev, O. I., Iadecola, A., Borkiewicz, O. J. & Dambournet, D., 17 May 2021, In: Inorganic Chemistry. 60, 10, p. 7217-7227 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
2 Citations (SciVal)

170 Downloads (Pure)
Pushing the boundaries of lithium battery research with atomistic modelling on different scales
Morgan, L., Mercer, M., Bhandari, A., Peng, C., Islam, R., Yang, H., Holland, J., Coles, S., Sharpe, R., Walsh, A., Morgan, B., Kramer, D., Islam, M., Hoster, H., Edge, J. & Skylaris, C.-K., 7 Dec 2021, In: Progress in Energy. 4, 012002.
Research output: Contribution to journal › Article › peer-review

Open Access
24 Citations (SciVal)

Dataset for "Evidence for the existence of an inductive effect in superionic conductors"
Squires, A. G. (Creator) & Morgan, B. (Creator), University of Bath, 7 Dec 2020
DOI: 10.15125/BATH-00798
Dataset
DFT Dataset: Mg Intercalation into (OH,F)-Substituted Anatase TiO2
Morgan, B. (Creator), University of Bath, 17 Aug 2018
DOI: 10.15125/BATH-00545
Dataset
Computational Supporting Dataset for "Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries"
Morgan, B. (Creator), University of Bath, 24 Oct 2019
DOI: 10.15125/BATH-00689
Dataset