First-Principles Investigation of Borophene as a Monolayer Transparent Conductor

Adamska, Lyudmyla; Sadasivam, Sridhar; Foley, IV, Jonathan J.; Darancet, Pierre; Sharifzadeh, Sahar

doi:10.1021/acs.jpcc.7b10197

Title: First-Principles Investigation of Borophene as a Monolayer Transparent Conductor

Journal Article · 28 January 2018 · Journal of Physical Chemistry. C

DOI: https://doi.org/10.1021/acs.jpcc.7b10197 · OSTI ID:1467636

^[1]; Sadasivam, Sridhar ^[2];

^[3];

^[2];

^[1]

Boston Univ., Boston, MA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
William Paterson Univ., Wayne, NJ (United States)

Two-dimensional boron is promising as a tunable monolayer metal for nano-optoelectronics. We study the optoelectronic properties of two likely allotropes of two-dimensional boron, β12 and δ6, using first-principles density functional theory and many-body perturbation theory. We find that both systems are anisotropic metals, with strong energy- and thickness-dependent optical transparency and a weak (<1%) absorbance in the visible range. Additionally, using state-of-the-art methods for the description of the electron–phonon and electron–electron interactions, we show that the electrical conductivity is limited by electron–phonon interactions. Furthermore, our results indicate that both structures are suitable as a transparent electrode.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1467636

Alternate ID(s):: OSTI ID: 1603332; OSTI ID: 1483669

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 7 Vol. 122; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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