title: Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity.
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.
authors.affiliation: Department of Chemistry and Biochemistry, University of California , Los Angeles, 607 Charles E. Young Drive, Los Angeles, California 90095-1569, United States.|College of Chemistry and Molecular Engineering, Peking University , 100871 Beijing, China.
authors.forename: Zhi-Hao
authors.initials: ZH
authors.lastname: Cui
authors.affiliation: Department of Chemistry and Biochemistry, University of California , Los Angeles, 607 Charles E. Young Drive, Los Angeles, California 90095-1569, United States.|Kimika Fakultatea, Euskal Herriko Unibertsitatea (UPV/EHU), and Donostia International Physics Center (DIPC), P. K. 1072, 20080 Donostia, Euskadi, Spain.
authors.forename: Elisa
authors.initials: E
authors.lastname: Jimenez-Izal
authors.affiliation: Department of Chemistry and Biochemistry, University of California , Los Angeles, 607 Charles E. Young Drive, Los Angeles, California 90095-1569, United States.|California NanoSystems Institute , Los Angeles, California 90095-1569, United States.
authors.forename: Anastassia N
authors.identifier: http://orcid.org/0000-0002-3003-1911
authors.initials: AN
authors.lastname: Alexandrova