Two-dimensional nanosheets for opto-electronic applications
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After the discovery of graphene, new emerging two-dimensional
materials including layers of BN, hybridized graphene-BN (CBN) and
dichalcogenides (MoS2,MoSe2,WS2 ect.) have been the focus of strong
interest for their tunable opto-electronic properties, their high
carrier mobility and the envisaged possibility to use them in
photovoltaic devices.
In this talk, I will focus on the electronic and optical properties of
CBN hybridized monolayers [1-2]  studied by ab-initio density
functional theory and many-body perturbation theory (GW and
Bethe-Salpeter) calculations.
Then based on our recent first-principles simulations, I will present
candidate interfaces and device architectures to implement CBN [3] and
other monolayer semiconductors [4] into efficient and photostable
excitonic solar cells, alternative to those based on conjugated
polymers and small molecules.
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[1] M. Bernardi, M. Palummo, J. C. Grossman Phys. Rev. Lett. 108, 226805 (2012)
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[2] L. Ci, et al., Nature Mater. 9, 430 (2010)
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[3] M. Bernardi, M. Palummo, J. C. Grossman  ACS NANO 2012, 6 (11), pp 10082-10089
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[4] M. Bernardi, M. Palummo, J. C. Grossman submitted to Nano Letters