Pb-based halide perovskites AMX（prototype CHNHPbI） have recently attracted intense interest for optoelectronic applications,especially solar cells,yet two key impediments need to be resolved:the intrinsic material i...
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Pb-based halide perovskites AMX（prototype CHNHPbI） have recently attracted intense interest for optoelectronic applications,especially solar cells,yet two key impediments need to be resolved:the intrinsic material instability（e.g.,towards decomposition） and the toxicity due to water soluble *** used photovoltaic-functionality-directed materials screening approach to rationally design via first-principles calculations Pb-free halide *** criteria involve thermodynamic and crystallographic stability,as well as solar band gaps,light carrier effective masses,reasonable exciton binding,*** considered both single atomic substitutions in AMX normal perovskites（altering A,M and X individually） [1] as well as double substitution of 2 M into B+C pair in A2BCX6 double-perovskites [2,3].Chemical trends in phase stabilities and optoelectronic properties are discussed with some promising cases comparable to *** of our proposed compounds have been verified by experimental ***,our joint theoryexperiment study indicates that highly-oriented Sn-based two-dimensional perovskites are promising Pb-free solar absorbers,showing power conversion efficiencies up to 5.94% and more importantly high device stability [4].We will also present our quite recent progress on design of Sb-based layered halide perovskites with enhanced solar cell performance [5].
Pb-based halide perovskites AMX3（prototype CH3NH3Pb I3）have recently attracted intense interest for optoelectronic applications,especially solar cells,yet two key impediments need to be resolved:the intrinsic materi...
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Pb-based halide perovskites AMX3（prototype CH3NH3Pb I3）have recently attracted intense interest for optoelectronic applications,especially solar cells,yet two key impediments need to be resolved:the intrinsic material instability（e.g.,towards decomposition）and the toxicity due to water soluble *** used photovoltaic-functionality-directed materials screening approach to rationally design via first-principles calculations Pb-free halide *** criteria involve thermodynamic and crystallographic stability,as well as solar band gaps,light carrier effective masses,reasonable exciton binding,*** considered both single atomic substitutions in AMX3 normal perovskites（altering A,M and X individually）[1]as well as double substitution of 2M into B+C pair in A2BCX6 double-perovskites[2,3].Chemical trends in phase stabilities and optoelectronic properties are discussed with some promising cases comparable to CH3NH3Pb *** of our proposed compounds have been verified by experimental ***,our joint theory-experiment study indicates that highly-oriented Sn-based two-dimensional perovskites are promising Pb-free solar absorbers,showing power conversion efficiencies up to 5.94%and more importantly high device stability[4].We will also present our quite recent progress on design of Sb-based layered halide perovskites with enhanced solar cell performance[5].
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