Green Phosphorene: Theoretical Investigation of Its Promise as an Anode for High-Efficiency Lithium/Sodium-Ion Batteries

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dc.contributor.affiliationGranda-Rodriguez E., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, 050026, Colombia
dc.contributor.affiliationGonzález J.W., Departamento de Física, Universidad de Antofagasta, Antofagasta, 1270300, Chile
dc.contributor.affiliationCorrea J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, 050026, Colombia
dc.contributor.affiliationFlórez E., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, 050026, Colombia
dc.contributor.authorGranda-Rodriguez E.
dc.contributor.authorGonzález J.W.
dc.contributor.authorCorrea J.D.
dc.contributor.authorFlórez E.
dc.date.accessioned2025-09-08T14:23:50Z
dc.date.available2025-09-08T14:23:50Z
dc.date.issued2025
dc.descriptionAs the global demand for sustainable energy storage grows, the search for efficient anode materials for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) has become of scientific interest. This study theoretically investigates the potential of green phosphorene, a two-dimensional (2D) material, as an anode material for alkali metal-ion batteries. Using density functional theory (DFT) calculations, we investigated the adsorption behavior of lithium and sodium ions on green phosphorene, evaluating structural stability, electronic properties, and ion diffusion pathways. Our results show that green phosphorene exhibits favorable adsorption energies for both Li and Na ions, while maintaining excellent structural integrity across various ion concentrations. Additional, a semiconductor-to-metal transition was observed during the lithiation and sodiation processes, further supporting its viability as a high-performance anode material. The calculated specific capacities and open-circuit voltage (OCV) profiles for green phosphorene are competitive with or superior to, conventional materials. Lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs), contributing to advancements in more sustainable and efficient energy storage technologies. © 2025 American Chemical Society.
dc.identifier.doi10.1021/acs.jpcc.4c08089
dc.identifier.instnameinstname:Universidad de Medellínspa
dc.identifier.issn19327447
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellínspa
dc.identifier.repourlrepourl:https://repository.udem.edu.co/
dc.identifier.urihttp://hdl.handle.net/11407/9111
dc.language.isoeng
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-105003871675&doi=10.1021%2facs.jpcc.4c08089&partnerID=40&md5=f7b9e46bdd830f49bcea6e590523ae6f
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dc.rights.accesoRestricted access
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.sourceJournal of Physical Chemistry C
dc.sourceJ. Phys. Chem. C
dc.sourceScopus
dc.subjectBattery storage
dc.subjectLithium-ion batteries
dc.subjectAnode material for lithium ion batteries
dc.subjectEfficient anode
dc.subjectGlobal demand
dc.subjectHigher efficiency
dc.subjectIon batteries
dc.subjectLithium ions
dc.subjectSodium ion batteries
dc.subjectSustainable energy
dc.subjectTheoretical investigations
dc.subjectTwo-dimensional materials
dc.subjectSodium-ion batteries
dc.titleGreen Phosphorene: Theoretical Investigation of Its Promise as an Anode for High-Efficiency Lithium/Sodium-Ion Batteries
dc.typeArticle
dc.type.localArtículospa
dc.type.versioninfo:eu-repo/semantics/publishedVersion

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