Mechanical and electrical monitoring in the dynamics of twisted phosphorene nanoflakes on 2D monolayers

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage30713en_US
dc.citation.issueNumber50en_US
dc.citation.spage30704en_US
dc.citation.volumeNumber123en_US
dc.contributor.authorGörkan, T.en_US
dc.contributor.authorKadıoğlu, Y.en_US
dc.contributor.authorÜzengi-Aktürk, O.en_US
dc.contributor.authorGökoğlu, G.en_US
dc.contributor.authorAktürk, E.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2020-02-14T12:37:56Z
dc.date.available2020-02-14T12:37:56Z
dc.date.issued2019
dc.departmentDepartment of Physicsen_US
dc.description.abstractWe investigated the rotational and translational dynamics of hydrogen-passivated, black phosphorene and blue phosphorene nanoflakes of diverse size and geometry anchored to graphene, black phosphorene, blue phosphorene, and MoS2 monolayer substrates. The optimized attractive interaction energy between each nanoflake and monolayer substrates are harmonic for small angular displacements, leading to libration frequencies. We showed that the relevant dynamical parameters and resulting libration frequencies, which vary with the size/geometry of nanoflakes, as well as with the type of substrate, can be monitored by charging, external electric field, pressure, and also by a molecule anchored to the flake. The optimized energy profiles and energy barriers thereof have been calculated in translational and in large angle rotational dynamics. Owing to the weak interaction between the flakes and monolayers the energy barriers are particularly small for incommensurate systems and can renders nearly frictionless rotation and translation, which is crucial for nanoscale mechanics. Even if small for particular combined nanoflake + monolayer heterostructures, the energy band gaps exhibit variations with angular and linear displacements of nanoflakes. However, these band gaps undergo considerable reduction under pressure. With tunable dynamics, electronic structure, and low friction coefficients, individual or periodically repeating nanoflakes on a monolayer substrate constitute critical composite structures offering the design of novel detectors, nanomechanical, electromechanical, and electronic devices.en_US
dc.identifier.doi10.1021/acs.jpcc.9b09135en_US
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/11693/53370
dc.language.isoEnglishen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofhttps://dx.doi.org/10.1021/acs.jpcc.9b09135en_US
dc.source.titleJournal of Physical Chemistry Cen_US
dc.subjectMonolayersen_US
dc.subjectEnergyen_US
dc.subjectNanoflakesen_US
dc.subjectMoleculesen_US
dc.subjectTwo dimensional materialsen_US
dc.titleMechanical and electrical monitoring in the dynamics of twisted phosphorene nanoflakes on 2D monolayersen_US
dc.typeArticleen_US

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