Electronic Structure of Si-Doped BN Nanotubes Using X-ray Photoelectron Spectroscopy and First-Principles Calculation
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Cho, Yong Jae | - |
dc.contributor.author | Kim, Chang Hyun | - |
dc.contributor.author | Kim, Han Sung | - |
dc.contributor.author | Park, Jeunghee | - |
dc.contributor.author | Choi, Hyun Chul | - |
dc.contributor.author | Shin, Hyun-Joon | - |
dc.contributor.author | Gao, Guohua | - |
dc.contributor.author | Kang, Hong Seok | - |
dc.date.accessioned | 2021-09-08T20:49:39Z | - |
dc.date.available | 2021-09-08T20:49:39Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2009-01-13 | - |
dc.identifier.issn | 0897-4756 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/120760 | - |
dc.description.abstract | Silicon (Si)-doped multiwalled boron nitride nanotubes (BNNTs) were synthesized via thermal chemical vapor deposition. Electron energy-loss spectroscopy revealed that 5% of Si atoms were homogeneously doped into the BNNTs. X-ray absorption and photoelectron spectroscopy measurements demonstrated that the Si-B and Si-N bonding structures are produced, where both structures reduce the 7 bonding states of the BN sheets. The valence band analysis indicates that the Si doping decreases the band gap by about 1.7 eV. The first principles calculation of the Si-doped double-walled BNNTs suggests two distinctive doping structures; contiguous Si-Si bonding structures along the tube axis and a local hollow nitrogen-rich pyridine-like structure with a lone electron pair. It also predicts that the 4% Si-doped defective structures reduce the band gap of the BNNTs by 1.6 eV, which is in qualitative agreement with our experimental results. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | BORON-NITRIDE NANOTUBES | - |
dc.subject | AB-INITIO | - |
dc.subject | MOLECULAR-DYNAMICS | - |
dc.subject | WALLED NANOTUBES | - |
dc.subject | CARBON NANOTUBE | - |
dc.subject | BC2N | - |
dc.title | Electronic Structure of Si-Doped BN Nanotubes Using X-ray Photoelectron Spectroscopy and First-Principles Calculation | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Park, Jeunghee | - |
dc.identifier.doi | 10.1021/cm802559m | - |
dc.identifier.scopusid | 2-s2.0-61849179178 | - |
dc.identifier.wosid | 000262266500024 | - |
dc.identifier.bibliographicCitation | CHEMISTRY OF MATERIALS, v.21, no.1, pp.136 - 143 | - |
dc.relation.isPartOf | CHEMISTRY OF MATERIALS | - |
dc.citation.title | CHEMISTRY OF MATERIALS | - |
dc.citation.volume | 21 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 136 | - |
dc.citation.endPage | 143 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.subject.keywordPlus | BORON-NITRIDE NANOTUBES | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
dc.subject.keywordPlus | WALLED NANOTUBES | - |
dc.subject.keywordPlus | CARBON NANOTUBE | - |
dc.subject.keywordPlus | BC2N | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
(02841) 서울특별시 성북구 안암로 14502-3290-1114
COPYRIGHT © 2021 Korea University. All Rights Reserved.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.