KISTI repository
BROWSE
download0
view842
This item is licensed Korea Open Government License
- dc.contributor.author
- HongguangLiu
- dc.contributor.author
- 이진용
- dc.date.accessioned
- 2019-08-28T07:41:09Z
- dc.date.available
- 2019-08-28T07:41:09Z
- dc.date.issued
- 2012-01-05
- dc.identifier.issn
- 1932-7447
- dc.identifier.uri
- https://repository.kisti.re.kr/handle/10580/14046
- dc.description.abstract
-
Itiswellknownthattheexternalelectricfieldcaneffectively
modifytheelectronicstructuresandtransportpropertiesoflowdimensional
systems.However,toourknowledge,thecorresponding
atomicstructureandadsorptionpropertychangesofagraphenecarbon
networkunderdifferentappliedelectricfieldshavenotbeeninvestigated.
Herein,usingfirst-principlesDFTcalculations,wehavesystematically
exploredtheCOadsorptiononthepristinegraphenenanodot
andthedefectiveonebytakingtheexternalelectricfieldintoaccount.It
isfoundthattheelectricfieldcanincreasetheCOadsorptionenergyand
thereisabarrierforCO?vacancyrecombinationthatismostlybelieved
toremergeinstantaneouslywhentheycomeclosetoeachother.Also,we
proposedamechanismforthesubsequenthealingofamonovacancy
onagraphenenanodotbyinteractionwithCOmolecules,leadingtothe
restorationofapristinehexagonalcarbonnetwork.
- dc.language
- eng
- dc.relation.ispartofseries
- Thejournalofphysicalchemistry.C,NanomaterialsandInterfaces
- dc.title
- Electric Field Effects on the Adsorption of CO on a Graphene Nanodot and the Healing Mechanism of a Vacancy in a Graphene Nanodot
- dc.citation.number
- 4
- dc.citation.startPage
- 3034
- dc.citation.volume
- 116
- dc.subject.keyword
- GrapheneNanodot
- dc.subject.keyword
- AdsorptionofCO
- dc.subject.keyword
- HealingMechanism
- Appears in Collections:
- 7. KISTI 연구성과 > 학술지 발표논문
- Files in This Item:
- There are no files associated with this item.
