Functional carbon and silicon monolayers in biphenylene network

buir.contributor.orcidÇallıoǧlu, Şafak|0000-0002-7491-2497en_US
dc.citation.epage3070en_US
dc.citation.issueNumber6en_US
dc.citation.spage3056en_US
dc.citation.volumeNumber4en_US
dc.contributor.authorGorkan, T.
dc.contributor.authorÇallıoǧlu, Şafak
dc.contributor.authorDemirci, S.
dc.contributor.authorAktürk, E.
dc.contributor.authorCiraci, S.
dc.contributor.bilkentauthorÇallıoǧlu, Şafak
dc.date.accessioned2023-02-21T06:57:53Z
dc.date.available2023-02-21T06:57:53Z
dc.date.issued2022-06-28
dc.departmentDepartment of Electrical and Electronics Engineeringen_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractWe investigated the effects of vacancy, void, substitutional impurity, isolated adsorption of selected adatoms, and their patterned coverage on the physical and chemical properties of metallic carbon and silicon monolayers in a biphenylene network. These monolayers can acquire diverse electronic and magnetic properties to become more functional depending on the repeating symmetry, size of the point defects, and on the type of adsorbed adatoms. While a carbon monovacancy attains a local magnetic moment, its void can display closed edge states with interesting physical effects. Adsorbed light-transition or rare-earth metal atoms attribute magnetism to these monolayers. The opening of a gap in the metallic density of states, which depends on the pattern and density of adsorbed hydrogen, oxygen, and carbon adatoms, can be used as the band gap engineering of these two-dimensional materials. The energy barriers against the passage of oxygen atoms through the centers of hexagon and octagon rings are investigated, and the coating of the active surfaces with carbon monolayers is exploited as a means of protection against oxidation. We showed that the repulsive forces exerting even at distant separations between two parallel, hydrogenated carbon monolayers in a biphenylene network can lead to the superlow friction features in their sliding motion. All these results obtained from the calculations using the density functional theory herald critical applications.en_US
dc.identifier.doi10.1021/acsaelm.2c00459en_US
dc.identifier.eissn2637-6113
dc.identifier.urihttp://hdl.handle.net/11693/111563
dc.language.isoEnglishen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofhttps://dx.doi.org/10.1021/acsaelm.2c00459en_US
dc.source.titleACS Applied Electronic Materialsen_US
dc.subjectAdsorptionen_US
dc.subjectDefectsen_US
dc.subjectDefects in solidsen_US
dc.subjectEnergyen_US
dc.subjectMonolayersen_US
dc.titleFunctional carbon and silicon monolayers in biphenylene networken_US
dc.typeArticleen_US
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