A comprehensive theoretical study of halide perovskites ABX3
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文摘

The enhanced exchange-correlation energy in halogen decreases the bandgap and increases the PCE of perovskites.

Ge perovskites possess a similar absorption spectrum and carrier transport properties with Pb perovskites.

The theoretical PCE of Ge perovskites is close to that of Pb perovskites, and a little higher than Sn perovskites.

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