Published November 29, 2022
| Version v1
Dataset
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DFT data for "The Role of Ion Solvation in Lithium Mediated Nitrogen Reduction"
Authors/Creators
- 1. Imperial College London
- 2. University College London
- 3. Osaka University
- 4. Imperial College London, Instituto de Ciencia de Materiales de Madrid
- 5. College de France, Boston College
Description
Density Functional Theory data used in the paper "The Role of Ion Solvation in Lithium Mediated Nitrogen Reduction".
Notes
O.W. acknowledges funding from the EPSRC and SFI Centre for Doctoral Training in Advanced Characterisation of Materials Grant Ref: EP/S023259/1, M.S. and I.E.L.S. acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement no. 866402), R.J., M.T., M.P.R., A.A., and I.E.L.S. acknowledge funding from the Faraday Institution (EP/3003053/1 through grants FIRG001 and FIRG0024), A.B. acknowledges funding from the Carlsberg Foundation, M.T. acknowledges funding from the Royal Academy of Engineering Chair in Emerging Technologies and M.P.R. acknowledges funding from the Armourers and Brasiers Company