Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 122, Issue 7, Pages 4037-4045Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b10197
Keywords
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Funding
- National Science Foundation [ACI-1548562]
- National Energy Research Scientific Computing Center, a DOE Office of Science User Facility - Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
- BUnano postdoctoral fellowship
- Center for Research at William Paterson University, College of Science and Health
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
- Laboratory Directed Research and Development (LDRD) from Argonne National Laboratory
- Early Career Award by U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) Early Career Program [DE-SC0018080]
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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, beta(12) and delta(6), 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. Our results indicate that both structures are suitable as a transparent electrode.
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