Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity.

J Phys Chem Lett

Department of Chemistry and Biochemistry, University of California, Los Angeles, 607 Charles E. Young Drive, Los Angeles, California 90095-1569, United States.

Published: March 2017

AI Article Synopsis

  • A new two-dimensional all-boron phase called the π phase has been discovered, which can be grown on a tungsten surface.
  • This π phase features unique structural characteristics, including four-membered and six-membered rings, and exhibits remarkable stability and electronic properties.
  • It has metallic characteristics due to multicentered π-bonds and displays anisotropic conductivity, suggesting potential applications in electronic devices.

Article 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.

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Source
http://dx.doi.org/10.1021/acs.jpclett.7b00275DOI Listing

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