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• W4383218557 abstract "Alternative halide perovskites with characteristics similar to $mathrm{CsPb}{X}_{3}$ perovskites have sparked interest over the past decade due to lead-induced toxicity and material instability. Here we utilize the technique of cation transmutation to create inorganic Pb-free halide double perovskites ${mathrm{Cs}}_{2}Mmathrm{Sb}{X}_{6}$ ($M$ = Cu, Ag, Na, K, Rb, Cs, and $X=mathrm{Cl}$, Br) and comprehensively study them from the perspective of their potential use in optoelectronic devices. Our first-principles density-functional-theory--based calculations reveal that all of these materials exhibit a cubic lattice with excellent phase stability against decomposition. Further, these systems are found to be mechanically stable and ductile in nature, with some amount of elastic anisotropy, which makes them an excellent choice for flexible materials. These materials are also found to possess interesting electronic and optical properties. While upon having $M$ = Cu, Ag, Na in ${mathrm{Cs}}_{2}Mmathrm{Sb}{X}_{6}$, the system possesses an indirect band gap with a value ranging between $ensuremath{sim}1.19phantom{rule{4.pt}{0ex}}text{and}phantom{rule{4.pt}{0ex}}4.82$ eV, a transition to direct band gap with values between $ensuremath{sim}4.50phantom{rule{4.pt}{0ex}}text{and}phantom{rule{4.pt}{0ex}}5.22$ eV occurs on having heavier metals with $M$ = K, Rb, Cs. In accordance with the band gap, most of the systems are also found to exhibit excellent absorption capabilities from visible to near-ultraviolet light. Furthermore, investigations of transport and excitonic properties indicate low effective mass, excellent charge-carrier mobility ($ensuremath{sim}10--{10}^{3}phantom{rule{4pt}{0ex}}{mathrm{cm}}^{2}{phantom{rule{0.16em}{0ex}}mathrm{V}}^{ensuremath{-}1}{phantom{rule{0.16em}{0ex}}mathrm{s}}^{ensuremath{-}1}$), low to moderate exciton binding energy, and longer to shorter exciton lifetimes for most of the examined materials, suggesting higher quantum yield and conversion efficiency of the examined materials. Overall, our study suggests that with atomic transmutation in ${mathrm{Cs}}_{2}Mmathrm{Sb}{X}_{6}$, stable and flexible lead-free halide double perovskites with superior and tunable optoelectronic properties can be achieved, which makes these materials excellent candidates for flexible optoelectronic devices, in general, and photovoltaics in particular." @default.
• W4383218557 created "2023-07-06" @default.
• W4383218557 creator A5029974007 @default.
• W4383218557 creator A5046573805 @default.
• W4383218557 date "2023-07-05" @default.
• W4383218557 modified "2023-10-02" @default.
• W4383218557 title "Theoretical insights into monovalent-metal-cation transmutation effects on lead-free halide double perovskites for optoelectronic applications" @default.
• W4383218557 cites W1696825759 @default.
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• W4383218557 cites W1963934009 @default.
• W4383218557 cites W1964470106 @default.
• W4383218557 cites W1970127494 @default.
• W4383218557 cites W1981368803 @default.
• W4383218557 cites W1984003326 @default.
• W4383218557 cites W1984359813 @default.
• W4383218557 cites W1986147552 @default.
• W4383218557 cites W1995113380 @default.
• W4383218557 cites W2006085358 @default.
• W4383218557 cites W2007395042 @default.
• W4383218557 cites W2011327487 @default.
• W4383218557 cites W2031186092 @default.
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• W4383218557 cites W2042468043 @default.
• W4383218557 cites W2044660317 @default.
• W4383218557 cites W2046906938 @default.
• W4383218557 cites W2047877383 @default.
• W4383218557 cites W2057327293 @default.
• W4383218557 cites W2067983335 @default.
• W4383218557 cites W2073531811 @default.
• W4383218557 cites W2074385890 @default.
• W4383218557 cites W2077451629 @default.
• W4383218557 cites W2078019609 @default.
• W4383218557 cites W2082347469 @default.
• W4383218557 cites W2083222334 @default.
• W4383218557 cites W2085093563 @default.
• W4383218557 cites W2098911987 @default.
• W4383218557 cites W2105759630 @default.
• W4383218557 cites W2136291721 @default.
• W4383218557 cites W2144871396 @default.
• W4383218557 cites W2151358917 @default.
• W4383218557 cites W2155407946 @default.
• W4383218557 cites W2257548062 @default.
• W4383218557 cites W2299559653 @default.
• W4383218557 cites W2307803660 @default.
• W4383218557 cites W2313160131 @default.
• W4383218557 cites W2315553808 @default.
• W4383218557 cites W2321206690 @default.
• W4383218557 cites W2473855123 @default.
• W4383218557 cites W2530890013 @default.
• W4383218557 cites W2550770623 @default.
• W4383218557 cites W2556028206 @default.
• W4383218557 cites W2582410691 @default.
• W4383218557 cites W2588813628 @default.
• W4383218557 cites W2620940397 @default.
• W4383218557 cites W2625603674 @default.
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• W4383218557 doi "https://doi.org/10.1103/physrevmaterials.7.075401" @default.
• W4383218557 hasPublicationYear "2023" @default.
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