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dc.contributor.authorZhao, Ning
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2021-03-28T06:32:08Z
dc.date.available2021-03-28T06:32:08Z
dc.date.issued2021-03-27
dc.date.submitted2020-11-23
dc.identifier.citationZhao, N., & Schwingenschlögl, U. (2021). Effective Doping of Square/Octagon-Phase Arsenene by Adsorption of Organic Molecules. Advanced Theory and Simulations, 2000300. doi:10.1002/adts.202000300
dc.identifier.issn2513-0390
dc.identifier.issn2513-0390
dc.identifier.doi10.1002/adts.202000300
dc.identifier.urihttp://hdl.handle.net/10754/668290
dc.description.abstractAdsorption of organic molecules can be a better choice than traditional chemical doping to achieve effective doping of 2D materials. The adsorption of organic molecules on square/octagon-phase (S/O-phase) arsenene is investigated and promoted the possibility of developing p–n junctions. In particular, it is found that adsorption of F4-TCNQ or TCNE molecules leads to effective p-doping. Adsorption of DMPD or TTF molecules leads to less effective n-doping. Interestingly, in the case of TTF adsorption strain engineering can be used to greatly improve the material properties. Therefore, both effective n- and p-doping of S/O-phase arsenene can be realized.
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
dc.publisherWiley
dc.relation.urlhttps://onlinelibrary.wiley.com/doi/10.1002/adts.202000300
dc.rightsArchived with thanks to Advanced Theory and Simulations
dc.titleEffective Doping of Square/Octagon-Phase Arsenene by Adsorption of Organic Molecules
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAdvanced Theory and Simulations
dc.rights.embargodate2022-03-27
dc.eprint.versionPost-print
dc.identifier.pages2000300
kaust.personZhao, Ning
kaust.personSchwingenschlögl, Udo
dc.date.accepted2021-01-11


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