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dc.contributor.author조준형-
dc.date.accessioned2016-12-01T05:58:13Z-
dc.date.available2016-12-01T05:58:13Z-
dc.date.issued2015-05-
dc.identifier.citationPHYSICAL CHEMISTRY CHEMICAL PHYSICS, v. 17, NO 25, Page. 16351-16358en_US
dc.identifier.issn1463-9076-
dc.identifier.issn1463-9084-
dc.identifier.urihttp://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP01732G#!divAbstract-
dc.identifier.urihttp://hdl.handle.net/20.500.11754/24643-
dc.description.abstractUsing first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find that the electronic properties of phosphorene are drastically modified by the number of valence electrons in dopant atoms. The dopants with an even number of valence electrons enable the doped phosphorenes to have a metallic feature, while the dopants with an odd number of valence electrons retain a semiconducting feature. This even-odd oscillating behavior is attributed to the peculiar bonding characteristics of phosphorene and the strong hybridization of sp orbitals between dopants and phosphorene. Furthermore, the calculated formation energies of various substitutional dopants in phosphorene show that such doped systems can be thermodynamically stable. These results propose an intriguing route to tune the transport properties of electronic and photoelectronic devices based on phosphorene.en_US
dc.description.sponsorshipWe thank Prof Zhenyu Zhang for helpful discussions. This work was supported by the National Basic Research Program of China (Grant No. 2012CB921300), the National Natural Science Foundation of China (Grant No. 11274280 and 11304288), and the National Research Foundation of Korea (Grant No. 2014M2B2A9032247).en_US
dc.language.isoenen_US
dc.publisherROYAL SOC CHEMISTRYen_US
dc.subjectFIELD-EFFECT TRANSISTORSen_US
dc.subjectGRAPHENEen_US
dc.titleAnomalous doping effect in black phosphorene using first-principles calculationsen_US
dc.typeArticleen_US
dc.relation.no25-
dc.relation.volume17-
dc.identifier.doi10.1039/c5cp01732g-
dc.relation.page16351-16358-
dc.relation.journalPHYSICAL CHEMISTRY CHEMICAL PHYSICS-
dc.contributor.googleauthorYu, Weiyang-
dc.contributor.googleauthorZhu, Zhili-
dc.contributor.googleauthorNiu, Chun-Yao-
dc.contributor.googleauthorLi, Chong-
dc.contributor.googleauthorCho, Jun-Hyung-
dc.contributor.googleauthorJia, Yu-
dc.relation.code2015000061-
dc.sector.campusS-
dc.sector.daehakCOLLEGE OF NATURAL SCIENCES[S]-
dc.sector.departmentDEPARTMENT OF PHYSICS-
dc.identifier.pidchojh-
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COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
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