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Shiyou Chen, Aron Walsh, Xin-Gao Gong and Su-Huai Wei Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth-Abundant Solar Cell Absorbers Advanced Materials 25

Version of Record online: 11 FEB 2013 | DOI: 10.1002/adma.201203146

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The physics of lattice defects in kesterite structured Cu2ZnSnS4 and Cu2ZnSnSe4 and chalcopyrite structured CuInSe2 and CuGaSe2 crystals is investigated and compared based on the first-principles calculations. The influence of shallow acceptor defects, deep donor defects and charge-compensated defect clusters on the non-stoichiometry, hole carrier concentration and solar cell efficiency of these materials is revealed.

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