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Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries

Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems, being considered as alternatives. Among these 2D multi-layered...

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Autores principales: King'ori, Gladys W., Ouma, Cecil N. M., Mishra, Abhishek K., Amolo, George O., Makau, Nicholas W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056275/
https://www.ncbi.nlm.nih.gov/pubmed/35518262
http://dx.doi.org/10.1039/d0ra04725b
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author King'ori, Gladys W.
Ouma, Cecil N. M.
Mishra, Abhishek K.
Amolo, George O.
Makau, Nicholas W.
author_facet King'ori, Gladys W.
Ouma, Cecil N. M.
Mishra, Abhishek K.
Amolo, George O.
Makau, Nicholas W.
author_sort King'ori, Gladys W.
collection PubMed
description Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems, being considered as alternatives. Among these 2D multi-layered systems are the graphene-based van der Waals heterostructures with transition metal di-chalcogenides (TMDCs) as one of the layers. Thus in this study, the graphene–hafnium disulphide (Gr–HfS(2)) system, has been investigated as a prototype Gr–TMDC system for application as a battery electrode. Density functional theory calculations indicate that Gr–HfS(2) van der Waals heterostructure formation is energetically favoured. In order to probe its battery electrode application capability, Li, Na and K intercalants were introduced between the layers of the heterostructure. Li and K were found to be good intercalants as they had low diffusion barriers as well as a positive open circuit voltage. A comparison of bilayer graphene and bilayer HfS(2) indicates that Gr–HfS(2) is a favourable battery electrode system.
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spelling pubmed-90562752022-05-04 Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries King'ori, Gladys W. Ouma, Cecil N. M. Mishra, Abhishek K. Amolo, George O. Makau, Nicholas W. RSC Adv Chemistry Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems, being considered as alternatives. Among these 2D multi-layered systems are the graphene-based van der Waals heterostructures with transition metal di-chalcogenides (TMDCs) as one of the layers. Thus in this study, the graphene–hafnium disulphide (Gr–HfS(2)) system, has been investigated as a prototype Gr–TMDC system for application as a battery electrode. Density functional theory calculations indicate that Gr–HfS(2) van der Waals heterostructure formation is energetically favoured. In order to probe its battery electrode application capability, Li, Na and K intercalants were introduced between the layers of the heterostructure. Li and K were found to be good intercalants as they had low diffusion barriers as well as a positive open circuit voltage. A comparison of bilayer graphene and bilayer HfS(2) indicates that Gr–HfS(2) is a favourable battery electrode system. The Royal Society of Chemistry 2020-08-17 /pmc/articles/PMC9056275/ /pubmed/35518262 http://dx.doi.org/10.1039/d0ra04725b Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
King'ori, Gladys W.
Ouma, Cecil N. M.
Mishra, Abhishek K.
Amolo, George O.
Makau, Nicholas W.
Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title_full Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title_fullStr Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title_full_unstemmed Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title_short Two-dimensional graphene–HfS(2) van der Waals heterostructure as electrode material for alkali-ion batteries
title_sort two-dimensional graphene–hfs(2) van der waals heterostructure as electrode material for alkali-ion batteries
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056275/
https://www.ncbi.nlm.nih.gov/pubmed/35518262
http://dx.doi.org/10.1039/d0ra04725b
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