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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 563 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 555 | - |
dc.citation.title | NANOSCALE | - |
dc.citation.volume | 16 | - |
dc.contributor.author | Zafari, Mohammad | - |
dc.contributor.author | Anand, Rohit | - |
dc.contributor.author | Nissimagoudar, Arun S. | - |
dc.contributor.author | Ha, Miran | - |
dc.contributor.author | Lee, Geunsik | - |
dc.contributor.author | Kim, Kwang S. | - |
dc.date.accessioned | 2023-12-21T16:05:10Z | - |
dc.date.available | 2023-12-21T16:05:10Z | - |
dc.date.created | 2023-12-21 | - |
dc.date.issued | 2024-01 | - |
dc.description.abstract | Hexagonal boron nitride (BN) shows significant chemical stability and promising thermal nitrogen reduction reaction (NRR) activity but suffers from low conductivity in electrolysis with a wide band gap. To overcome this problem, two-dimensional (2D) BN and graphene (G) are designed as a heterostructure, namely BN/G. According to density functional theory (DFT), the higher conductivity of G narrows the band gap of BN by inducing some electronic states near the Fermi energy level (Ef). Once transition metals (TMs) are anchored in the BN/G structure as single atom catalysts (SACs), the NRR activity improves as the inert BN basal layer activates with moderate *NH2 binding energy and further the band gap is reduced to zero. V (vanadium) and W (tungsten) SACs exhibit the best performance with limiting potentials of −0.22 and −0.41 V, respectively. This study helps in understanding the improvement of the NRR activity of BN, providing physical insights into the adsorbate–TM interaction. | - |
dc.identifier.bibliographicCitation | NANOSCALE, v.16, no.2, pp.555 - 563 | - |
dc.identifier.doi | 10.1039/d3nr05295h | - |
dc.identifier.issn | 2040-3364 | - |
dc.identifier.scopusid | 2-s2.0-85179812918 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/66674 | - |
dc.identifier.wosid | 001125013100001 | - |
dc.language | 영어 | - |
dc.publisher | Royal Society of Chemistry (RSC) | - |
dc.title | Single-atom catalysts supported on a hybrid structure of boron nitride/graphene for efficient nitrogen fixation via synergistic interfacial interactions | - |
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.keywordPlus | N-2 FIXATION | - |
dc.subject.keywordPlus | NITRIDE | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | EVOLUTION | - |
dc.subject.keywordPlus | ELECTROCATALYSTS | - |
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