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Using defects to store energy in materials – a computational study

Lu, I-Te and Bernardi, Marco (2017) Using defects to store energy in materials – a computational study. Scientific Reports, 7 . Art. No. 3403. ISSN 2045-2322. PMCID PMC5469865. doi:10.1038/s41598-017-01434-8.

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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.

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Bernardi, Marco0000-0001-7289-9666
Additional Information:© 2017 The Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit Received: 21 November 2016; Accepted: 28 March 2017; Published online: 13 June 2017. The authors acknowledge fruitful discussions with Prof. Brent Fultz and Prof. William Johnson. M.B. thanks the California Institute of Technology for start-up funds. I.L. acknowledges partial support through the Government Scholarship for USA Study by the Ministry of Education of Taiwan. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. Author Contributions: All authors contributed equally and reviewed the manuscript. The authors declare that they have no competing interests.
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Ministry of Education (Taipei)UNSPECIFIED
Department of Energy (DOE)DE-AC02-05CH11231
PubMed Central ID:PMC5469865
Record Number:CaltechAUTHORS:20170615-104758857
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78249
Deposited By: Tony Diaz
Deposited On:15 Jun 2017 20:51
Last Modified:25 Mar 2022 18:05

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