Version 1
: Received: 30 August 2024 / Approved: 2 September 2024 / Online: 3 September 2024 (09:33:49 CEST)
How to cite:
Barabanova, L.; Buldum, A. A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Preprints2024, 2024090146. https://doi.org/10.20944/preprints202409.0146.v1
Barabanova, L.; Buldum, A. A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Preprints 2024, 2024090146. https://doi.org/10.20944/preprints202409.0146.v1
Barabanova, L.; Buldum, A. A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Preprints2024, 2024090146. https://doi.org/10.20944/preprints202409.0146.v1
APA Style
Barabanova, L., & Buldum, A. (2024). A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Preprints. https://doi.org/10.20944/preprints202409.0146.v1
Chicago/Turabian Style
Barabanova, L. and Alper Buldum. 2024 "A First Principles Study of Lithium Adsorption in Nanoporous Graphene" Preprints. https://doi.org/10.20944/preprints202409.0146.v1
Abstract
Nanoporous graphene structures have high accessible surface area for lithium-ion adsorption or intercalation. Here, we present theoretical investigations on lithium-ion adsorption mechanism in a graphene nanopore. Ab initio electronic structure calculations are performed based on density functional theory. We also study different lithium-ion distributions in graphene nanopores to determination multilayer lithium-nanoporous graphene structures for lithium-ion batteries. We believe, these multilayer nanoporous graphene nanostructures with more pores opening can offer improved capacity and better rate performance for energy storage applications.
Keywords
nanoporous graphene; lithium adsorption; ab initio calculations; lithium-ion batteries
Subject
Physical Sciences, Condensed Matter Physics
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.