BROWSE

Related Scientist

pai,li's photo.

pai,li
다차원탄소재료연구단
more info

ITEM VIEW & DOWNLOAD

Origin of the herringbone reconstruction of Au(111) surface at the atomic scale

DC Field Value Language
dc.contributor.authorPai Li-
dc.contributor.authorFeng Ding-
dc.date.accessioned2023-01-26T02:42:59Z-
dc.date.available2023-01-26T02:42:59Z-
dc.date.created2022-10-29-
dc.date.issued2022-10-
dc.identifier.issn2375-2548-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/12699-
dc.description.abstractThe origin of the herringbone reconstruction on Au(111) surface has never been explained properly at the atomic level because the large periodic length (~30 nm) does not allow ab initio simulations of the system and because of the lack of highly accurate empirical force field. We trained a machine learning force field with high accuracy to explore this reconstruction. Our study shows that the lattice deformation in Au deeper layers, which allows the effective relaxation of the densified and anisotropic top layer lattice, is critical for the herringbone reconstruction. The herringbone reconstruction is energetically more favorable than the stripe reconstruction only if the slab thickness exceeds 12 atomic layers. Furthermore, we reveal the high stability of herringbone reconstruction at high temperatures and that a slight strain of about ±0.2% can induce a transition from the herringbone pattern to the stripe pattern, and both agree well with the experimental observations.-
dc.language영어-
dc.publisherNLM (Medline)-
dc.titleOrigin of the herringbone reconstruction of Au(111) surface at the atomic scale-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000872371400008-
dc.identifier.scopusid2-s2.0-85139368184-
dc.identifier.rimsid79015-
dc.contributor.affiliatedAuthorPai Li-
dc.contributor.affiliatedAuthorFeng Ding-
dc.identifier.doi10.1126/sciadv.abq2900-
dc.identifier.bibliographicCitationScience advances, v.8, no.40-
dc.relation.isPartOfScience advances-
dc.citation.titleScience advances-
dc.citation.volume8-
dc.citation.number40-
dc.type.docTypeArticle-
dc.description.journalClass1-
dc.description.journalClass1-
dc.description.isOpenAccessN-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalResearchAreaScience & Technology - Other Topics-
dc.relation.journalWebOfScienceCategoryMultidisciplinary Sciences-
dc.subject.keywordPlusTOTAL-ENERGY CALCULATIONS-
dc.subject.keywordPlusGRAPHENE NANORIBBONS-
dc.subject.keywordPlusSTRESS DOMAINS-
dc.subject.keywordPlusTHIN-FILM-
dc.subject.keywordPlusSTM-
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > 1. Journal Papers (저널논문)
Files in This Item:
There are no files associated with this item.

qrcode

  • facebook

    twitter

  • Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
해당 아이템을 이메일로 공유하기 원하시면 인증을 거치시기 바랍니다.

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse