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A First Principles Study of Lithium Adsorption in Nanoporous Graphene
Version 1
: Received: 30 August 2024 / Approved: 2 September 2024 / Online: 3 September 2024 (09:33:49 CEST)
A peer-reviewed article of this Preprint also exists.
Barabanova, L.; Buldum, A. A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Nanomaterials 2024, 14, 1528. Barabanova, L.; Buldum, A. A First Principles Study of Lithium Adsorption in Nanoporous Graphene. Nanomaterials 2024, 14, 1528.
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.
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