Li adsorption on graphene data from "Incorporating Long-range Electrostatics in Neural Network Potentials via Variational Charge Equilibration from Shortsighted Ingredients"

Shaidu, Yusuf

doi:10.5281/zenodo.10574375

Published January 27, 2024 | Version v1

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Li adsorption on graphene data from "Incorporating Long-range Electrostatics in Neural Network Potentials via Variational Charge Equilibration from Shortsighted Ingredients"

Shaidu, Yusuf (Contact person)^{1, 2}

1. University of California, Berkeley
2. Scuola Internazionale Superiore di Studi Avanzati

Lithium adsorption on 2x2 4x4 and 8x8 supercells of graphene in extended xyz file format. Li atoms are randomly placed on the surface of graphene at different heights between 1.6 and 2.8 Angstrom above graphene.

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Created: January 27, 2024
Modified: January 27, 2024

Li adsorption on graphene data from "Incorporating Long-range Electrostatics in Neural Network Potentials via Variational Charge Equilibration from Shortsighted Ingredients"

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Files (64.6 MB)