A hidden symmetry-broken phase of MoS2 revealed as a superior photovoltaic material
2018 ◽
Vol 6
(33)
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pp. 16087-16093
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Keyword(s):
Band Gap
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We predict a novel 1Td-MoS2 with a direct band gap of 1.27 eV which reaches a high photovoltaic efficiency of ∼33.3%.