Using defects to store energy in materials – a computational study

Abstract Energy storage occurs in a variety of physical and chemical processes. In particular, defects in materials can be regarded as energy storage units since they are long-lived and require energy to be formed. Here, we investigate energy storage in non-equilibrium populations of materials defec...

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Autores principales:	I-Te Lu, Marco Bernardi
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e5c79c742e7c42fa9bd228be3578732c
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spelling	oai:doaj.org-article:e5c79c742e7c42fa9bd228be3578732c2021-12-02T11:53:09ZUsing defects to store energy in materials – a computational study10.1038/s41598-017-01434-82045-2322https://doaj.org/article/e5c79c742e7c42fa9bd228be3578732c2017-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01434-8https://doaj.org/toc/2045-2322Abstract Energy storage occurs in a variety of physical and chemical processes. In particular, defects in materials can be regarded as energy storage units since they are long-lived and require energy to be formed. Here, we investigate energy storage in non-equilibrium populations of materials defects, such as those generated by bombardment or irradiation. We first estimate upper limits and trends for energy storage using defects. First-principles calculations are then employed to compute the stored energy in the most promising elemental materials, including tungsten, silicon, graphite, diamond and graphene, for point defects such as vacancies, interstitials and Frenkel pairs. We find that defect concentrations achievable experimentally (~0.1–1 at.%) can store large energies per volume and weight, up to ~5 MJ/L and 1.5 MJ/kg for covalent materials. Engineering challenges and proof-of-concept devices for storing and releasing energy with defects are discussed. Our work demonstrates the potential of storing energy using defects in materials.I-Te LuMarco BernardiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q I-Te Lu Marco Bernardi Using defects to store energy in materials – a computational study
description	Abstract Energy storage occurs in a variety of physical and chemical processes. In particular, defects in materials can be regarded as energy storage units since they are long-lived and require energy to be formed. Here, we investigate energy storage in non-equilibrium populations of materials defects, such as those generated by bombardment or irradiation. We first estimate upper limits and trends for energy storage using defects. First-principles calculations are then employed to compute the stored energy in the most promising elemental materials, including tungsten, silicon, graphite, diamond and graphene, for point defects such as vacancies, interstitials and Frenkel pairs. We find that defect concentrations achievable experimentally (~0.1–1 at.%) can store large energies per volume and weight, up to ~5 MJ/L and 1.5 MJ/kg for covalent materials. Engineering challenges and proof-of-concept devices for storing and releasing energy with defects are discussed. Our work demonstrates the potential of storing energy using defects in materials.
format	article
author	I-Te Lu Marco Bernardi
author_facet	I-Te Lu Marco Bernardi
author_sort	I-Te Lu
title	Using defects to store energy in materials – a computational study
title_short	Using defects to store energy in materials – a computational study
title_full	Using defects to store energy in materials – a computational study
title_fullStr	Using defects to store energy in materials – a computational study
title_full_unstemmed	Using defects to store energy in materials – a computational study
title_sort	using defects to store energy in materials – a computational study
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/e5c79c742e7c42fa9bd228be3578732c
work_keys_str_mv	AT itelu usingdefectstostoreenergyinmaterialsacomputationalstudy AT marcobernardi usingdefectstostoreenergyinmaterialsacomputationalstudy
_version_	1718394899792920576

Using defects to store energy in materials – a computational study

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