01234nas a2200361 4500008004100000022001400041245015900055210006900214260000800283490000700291653002100298653001200319653002900331653001500360653002600375653001700401100002100418700002300439700002400462700002400486700002200510700002300532700001600555700002000571700001900591700003000610700002200640700001600662700002200678700002200700700002400722856012600746 2024 eng d a1613-681000aInterface-centric strategies in kesterite solar cells: addressing challenges, solutions, and future directions for efficient solar-harvesting technologies0 aInterfacecentric strategies in kesterite solar cells addressing  cDEC0 v2010aband engineering10aDefects10ainterface loss mechanism10akesterites10arecombination control10asolar energy1 aJagadish, Kusuma1 aRahane, Ganesh, K.1 aKumar, Boddeda, Sai1 aBorkar, Durgesh, R.1 aChordiya, Kalyani1 aKavanagh, Sean, R.1 aRoy, Anurag1 aDebnath, Tushar1 aKolekar, Sadhu1 aKahaly, Mousumi, Upadhyay1 aMali, Sawanta, S.1 aPal, Shovon1 aGasparini, Nicola1 aDubal, Deepak, P.1 aRondiya, Sachin, R. uhttps://library.ncl.res.in/content/interface-centric-strategies-kesterite-solar-cells-addressing-challenges-solutions-and05784nas a2200325 4500008004100000245013700041210006900178260000800247300001400255490000600269520469500275100002204970700002304992700002005015700001905035700001805054700002005072700001705092700001705109700002105126700002305147700001605170700002705186700001805213700002705231700002205258700002405280700002405304856013005328 2024 eng d00aLead-free Cs2AgBiCl6 double perovskite: experimental and theoretical insights into the self-trapping for optoelectronic applications0 aLeadfree Cs2AgBiCl6 double perovskite experimental and theoretic cJUL a476–4890 v43 a

Lead-free double perovskites (DPs) will emerge as viable and environmentally safe substitutes for Pb-halide perovskites, demonstrating stability and nontoxicity if their optoelectronic property is greatly improved. Doping has been experimentally validated as a powerful tool for enhancing optoelectronic properties and concurrently reducing the defect state density in DP materials. Fundamental understanding of the optical properties of DPs, particularly the self-trapped exciton (STEs) dynamics, plays a critical role in a range of optoelectronic applications. Our study investigates how Fe doping influences the structural and optical properties of Cs2AgBiCl6 DPs by understanding their STEs dynamics, which is currently lacking in the literature. A combined experimental–computational approach is employed to investigate the optoelectronic properties of pure and doped Cs2AgBiCl6 (Fe–Cs2AgBiCl6) perovskites. Successful incorporation of Fe3+ ions is confirmed by X-ray diffraction and Raman spectroscopy. Moreover, the Fe–Cs2AgBiCl6 DPs exhibit strong absorption from below 400 nm up to 700 nm, indicating sub-band gap state transitions originating from surface defects. Photoluminescence (PL) analysis demonstrates a significant enhancement in the PL intensity, attributed to an increased radiative recombination rate and higher STE density. The radiative kinetics and average lifetime are investigated by the time-resolved PL (TRPL) method; in addition, temperature-dependent PL measurements provide valuable insights into activation energy and exciton–phonon coupling strength. Our findings will not only deepen our understanding of charge carrier dynamics associated with STEs but also pave the way for the design of some promising perovskite materials for use in optoelectronics and photocatalysis.

1 aRahane, Swati, N.1 aRahane, Ganesh, K.1 aMandal, Animesh1 aJadhav, Yogesh1 aGodha, Akshat1 aRokade, Avinash1 aShah, Shruti1 aHase, Yogesh1 aWaghmare, Ashish1 aSaykar, Nilesh, G.1 aRoy, Anurag1 aSalgaonkar, Kranti, N.1 aDubal, Deepak1 aMakineni, Surendra, K.1 aDzade, Nelson, Y.1 aJadkar, Sandesh, R.1 aRondiya, Sachin, R. uhttps://library.ncl.res.in/content/lead-free-cs2agbicl6-double-perovskite-experimental-and-theoretical-insights-self-trapping