Description: Although ZnO and ZnS are abundant, stable, environmentallybenign, their band gap energies (3.44 eV, 3.72 eV) are too large foroptimal photovoltaic efficiency. By using band-corrected pseudopotentialdensity-functional theory calculations, we study how the band gap,opticalabsorption, and carrier localization canbe controlled by formingquantum-well like and nanowire-based heterostructures ofZnO/ZnS andZnO/ZnTe. In the case of ZnO/ZnS core/shell nanowires, which can besynthesized using existing methods, we obtain a band gap of 2.07 eV,which corresponds to a Shockley-Quiesser efficiency limitof 23 percent.Based on these nanowire results, we propose that ZnO/ZnScore/shellnanowires can be used as photovoltaic devices with organic polymersemiconductors as p-channel contacts.
Date: May 1, 2007
Creator: Schrier, Joshua; Demchenko, Denis O.; Wang, Lin-Wang & Alivisatos,A. Paul
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