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Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells

Bernardi, Marco and Palummo, Maurizia and Grossman, Jeffrey C. (2012) Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells. ACS Nano, 6 (11). pp. 10082-10089. ISSN 1936-0851. doi:10.1021/nn303815z.

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The recent advent of two-dimensional monolayer materials with tunable optical properties and high carrier mobility offers renewed opportunities for efficient, ultrathin excitonic solar cells alternative to those based on conjugated polymer and small molecule donors. Using first-principles density functional theory and many-body calculations, we demonstrate that monolayers of hexagonal BN and graphene (CBN) combined with commonly used acceptors such as PCBM fullerene or semiconducting carbon nanotubes can provide excitonic solar cells with tunable absorber gap, donor–acceptor interface band alignment, and power conversion efficiency, as well as novel device architectures. For the case of CBN–PCBM devices, we predict power conversion efficiency limits in the 10–20% range depending on the CBN monolayer structure. Our results demonstrate the possibility of using monolayer materials in tunable, efficient, ultrathin solar cells in which unexplored exciton and carrier transport regimes are at play.

Item Type:Article
Related URLs:
URLURL TypeDescription Information Paper
Bernardi, Marco0000-0001-7289-9666
Palummo, Maurizia0000-0002-3097-8523
Grossman, Jeffrey C.0000-0003-1281-2359
Additional Information:© 2012 American Chemical Society. Received for review August 21, 2012 and accepted October 12, 2012. Publication Date (Web): October 13, 2012. M.B. acknowledges funding from Intel through the Intel Ph.D. Fellowship. We thank NERSC and Teragrid for providing computational resources. The authors declare no competing financial interest.
Funding AgencyGrant Number
Subject Keywords:photovoltaics; graphene; boron nitride; monolayer materials; band offsets; power conversion efficiency
Issue or Number:11
Record Number:CaltechAUTHORS:20150923-141105493
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Official Citation:Semiconducting Monolayer Materials as a Tunable Platform for Excitonic Solar Cells Marco Bernardi, Maurizia Palummo, and Jeffrey C. Grossman ACS Nano 2012 6 (11), 10082-10089 DOI: 10.1021/nn303815z
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60447
Deposited By: George Porter
Deposited On:23 Sep 2015 21:23
Last Modified:10 Nov 2021 22:34

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