There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.number | 1 | - |
dc.citation.startPage | 10 | - |
dc.citation.title | NANOMATERIALS | - |
dc.citation.volume | 13 | - |
dc.contributor.author | Singh, Aditya Narayan | - |
dc.contributor.author | Hajibabaei, Amir | - |
dc.contributor.author | Ha, Miran | - |
dc.contributor.author | Meena, Abhishek | - |
dc.contributor.author | Kim, Hyun-Seok | - |
dc.contributor.author | Bathula, Chinna | - |
dc.contributor.author | Nam, Kyung-Wan | - |
dc.date.accessioned | 2023-12-21T13:09:06Z | - |
dc.date.available | 2023-12-21T13:09:06Z | - |
dc.date.created | 2023-01-20 | - |
dc.date.issued | 2023-01 | - |
dc.description.abstract | Cation-disordered rocksalt (DRX) cathodes have been viewed as next-generation high-energy density materials surpassing conventional layered cathodes for lithium-ion battery (LIB) technology. Utilizing the opportunity of a better cation mixing facility in DRX, we synthesize Na-doped DRX as an efficient electrocatalyst toward oxygen evolution reaction (OER). This novel OER electrocatalyst generates a current density of 10 mA cm(-2) at an overpotential (eta) of 270 mV, Tafel slope of 67.5 mV dec(-1), and long-term stability >5.5 days' superior to benchmark IrO2 (eta = 330 mV with Tafel slope = 74.8 mV dec(-1)). This superior electrochemical behavior is well supported by experiment and sparse Gaussian process potential (SGPP) machine learning-based search for minimum energy structure. Moreover, as oxygen binding energy (O-BE) on the surface closely relates to OER activity, our density functional theory (DFT) calculations reveal that Na-doping assists in facile O-2 evolution (O-BE = 5.45 eV) compared with pristine-DRX (6.51 eV). | - |
dc.identifier.bibliographicCitation | NANOMATERIALS, v.13, no.1, pp.10 | - |
dc.identifier.doi | 10.3390/nano13010010 | - |
dc.identifier.issn | 2079-4991 | - |
dc.identifier.scopusid | 2-s2.0-85145841159 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/61591 | - |
dc.identifier.wosid | 000908935100001 | - |
dc.language | 영어 | - |
dc.publisher | MDPI | - |
dc.title | Reduced Potential Barrier of Sodium-Substituted Disordered Rocksalt Cathode for Oxygen Evolution Electrocatalysts | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied | - |
dc.relation.journalResearchArea | Chemistry; Science & Technology - Other Topics; Materials Science; Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | cation disordered rocksalt | - |
dc.subject.keywordAuthor | oxygen evolution reaction | - |
dc.subject.keywordAuthor | sparse Gaussian process potential | - |
dc.subject.keywordAuthor | machine learning | - |
dc.subject.keywordAuthor | density functional theory | - |
dc.subject.keywordPlus | RAY-ABSORPTION SPECTROSCOPY | - |
dc.subject.keywordPlus | ELECTROCHEMICAL-BEHAVIOR | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | OXIDE | - |
dc.subject.keywordPlus | WATER | - |
dc.subject.keywordPlus | PEROVSKITE | - |
dc.subject.keywordPlus | EFFICIENT | - |
dc.subject.keywordPlus | RICH | - |
dc.subject.keywordPlus | IRON | - |
dc.subject.keywordPlus | PERFORMANCE | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.