dc.contributor.author | Cui, Zhihao | |
dc.contributor.author | Jiménez Izal, Elisa | |
dc.contributor.author | Alexandrova, Anastassia N. | |
dc.date.accessioned | 2024-02-08T09:47:02Z | |
dc.date.available | 2024-02-08T09:47:02Z | |
dc.date.issued | 2017-03-01 | |
dc.identifier.citation | The Journal of Physical Chemistry Letters 8(6) : 1224-1228 (2017) | es_ES |
dc.identifier.issn | 1948-7185 | |
dc.identifier.uri | http://hdl.handle.net/10810/65144 | |
dc.description.abstract | Two-dimensional (2D) phases of boron are rare and unique. Here we report a new 2D all-boron phase (named the π phase) that can be grown on a W(110) surface. The π phase, composed of four-membered rings and six-membered rings filled with an additional B atom, is predicted to be the most stable on this support. It is characterized by an outstanding stability upon exfoliation off of the W surface, and unusual electronic properties. The chemical bonding analysis reveals the metallic nature of this material, which can be attributed to the multicentered π-bonds. Importantly, the calculated conductivity tensor is anisotropic, showing larger conductivity in the direction of the sheet that is in-line with the conjugated π-bonds, and diminished in the direction where the π-subsystems are connected by single σ-bonds. The π-phase can be viewed as an ultrastable web of aligned conducting boron wires, possibly of interest to applications in electronic devices. | es_ES |
dc.description.sponsorship | Financial support comes from the CSST Scholarship to Z.-H.C., the Postdoctoral Fellowship of the Basque Country toE.J.I. (POS 2015 1 0008), and NSF-CAREER Award CHE-1351968 to A.N.A. | |
dc.language.iso | eng | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.title | Prediction of Two-dimensional Phase of Boron with Anisotropic Electric Conductivity | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | ACS | es_ES |
dc.rights.holder | © 2017 American Chemical Society | |
dc.relation.publisherversion | https://pubs.acs.org/doi/full/10.1021/acs.jpclett.7b00275 | |
dc.identifier.doi | /10.1021/acs.jpclett.7b00275 | |
dc.departamentoes | Química física | es_ES |
dc.departamentoeu | Kimika fisikoa | es_ES |