Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry: A DFT Study of Lithium Titanate Spinel Surfaces
Open data archive for "Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry:
A DFT Study of Lithium Titanate Spinel Surfaces" by B. J. Morgan, J. Carrasco and G. Teobaldi. J Mater. Chem. A 4, 17180 (2016) doi:10.1039/c6ta05980e
Cite this dataset as:
Teobaldi, G.,
2016.
Variation in Surface Energy and Reduction Drive of a Metal Oxide Lithium-Ion Anode with Stoichiometry: A DFT Study of Lithium Titanate Spinel Surfaces.
University of Liverpool.
Available from: https://doi.org/10.17638/datacat.liverpool.ac.uk/209.
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Creators
Gilberto Teobaldi
Work Package Leader
University of Liverpool
Contributors
Javier Carrasco
Project Member
CIC energiGUNE
Benjamin Morgan
Researcher
University of Bath
University of Bath
Rights Holder
Documentation
Data processing and preparation activities:
README.md file included in dataset
Funders
Seventh Framework Programme
https://doi.org/10.13039/501100004963
SIRBATT – Stable Interfaces for Rechargeable Batteries
608502
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
In-silico development of the potential of doped metal-oxide nanotubes as novel photo-catalysts for energy applications
EP/I004483/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Simulation of Lattice-Matched Interfaces for Li-ion Batteries
EP/N004302/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
E-Infrastructure Interconnectivity EPSRC – Chris Taylor
EP/K000225/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Materials Chemistry High End Computing Consortium
EP/L000202/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Support for the UKCP consortium
EP/K013564/1
Royal Society
https://doi.org/10.13039/501100000288
Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
UF130329
Publication details
Publication date: 12 October 2016
by: University of Liverpool
Version: 1
DOI: https://doi.org/10.17638/datacat.liverpool.ac.uk/209
URL for this record: https://researchdata.bath.ac.uk/id/eprint/405
Related papers and books
Morgan, B. J., Carrasco, J., and Teobaldi, G., 2016. Variation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfaces. Journal of Materials Chemistry A, 4(43), 17180-17192. Available from: https://doi.org/10.1039/c6ta05980e.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Gilberto Teobaldi
Faculty of Science
Chemistry
