Items where Creator or Contributor is "Morgan, Benjamin"

2016

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.

2017

O'Rourke, C., Morgan, B., 2017. Data Analysis for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4". Zenodo. Available from: https://doi.org/10.5281/zenodo.1069417.

Morgan, B., Salanne, M., Dambournet, D., 2017. Computational Dataset for "Reversible Magnesium and Aluminium-ions Insertion in Cation-Deficient Anatase TiO2". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00397.

Morgan, B., 2017. Dataset for "Lattice-Geometry Effects in Garnet Solid Electrolytes: A Lattice-Gas Monte Carlo Simulation Study". Zenodo. Available from: https://doi.org/10.5281/zenodo.821864.

Burbano, M., Carlier, D., Boucher, F., Morgan, B., Salanne, M., 2017. Supporting data for Sparse Cyclic Excitations Explain the Low Ionic Conductivity of Stoichiometric Li7La3Zr2O12. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00366.

2018

Morgan, B., 2018. DFT dataset: Impact of Anionic Vacancies on the Local and Electronic Structures of Iron-based Oxyfluoride Electrodes. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00576.

Morgan, B., 2018. DFT Dataset: Mg Intercalation into (OH,F)-Substituted Anatase TiO2. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00545.

Morgan, B., 2018. DFT dataset: X=(Li,Na,Ca,Mg,Al) Intercalation into (F/OH)-Substituted Anatase TiO2. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00473.

Morgan, B., 2018. DFT Data Analysis: Intercalation of X=(Li, Na, Mg, Ca, Al) into (F/OH)-substituted anatase TiO2. Zenodo. Available from: https://doi.org/10.5281/zenodo.1181872.

O'Rourke, C., Morgan, B., 2018. DFT Dataset for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00438.

2019

Squires, A., Scanlon, D., Morgan, B., 2019. Dataset for "Native Defects and their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00691.

Morgan, B., 2019. Computational Supporting Dataset for "Exploiting Cationic Vacancies for Increased Energy Densities in Dual-Ion Batteries". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00689.

2020

Morgan, B., 2020. DFT Dataset for "Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00814.

Squires, A., Morgan, B., 2020. Dataset for "Evidence for the existence of an inductive effect in superionic conductors". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00798.

Morgan, B., 2020. Computational Supporting Dataset: Atomic Insights into Aluminium-Ion Insertion in Defective Hydroxyfluorinated Anatase for Batteries. Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00815.

2021

Squires, A., Morgan, B., 2021. Dataset for "The Impact of Solution Chemistry on Growth and Structural Features of Mo-substituted Spinel Iron Oxides". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-00993.

2022

McColl, K., 2022. Dataset for "Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01189.

Squires, A., Davies, D., Morgan, B., 2022. Dataset for "Low electronic conductivity of Li₇La₃Zr₂O₁₂ solid electrolytes from first principles". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01167.

2023

Mercadier, B., Coles, S., Duttine, M., Legein, C., Body, M., Borkiewicz, O., Lebedev, O., Morgan, B., Masquelier, C., Dambournet, D., 2023. Dataset for "Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01309.

Coles, S., Squires, A., McColl, K., Islam, S., Morgan, B., 2023. Dataset for "Anion-polarisation–directed short-range-order in antiperovskite Li2FeSO". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01260.