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The atomic-level structure of bandgap engineered double perovskite alloys Cs2AgIn1-xFexCl6
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SYSNO ASEP 0539522 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název The atomic-level structure of bandgap engineered double perovskite alloys Cs2AgIn1-xFexCl6 Tvůrce(i) Ji, F. (SE)
Wang, F. (SE)
Kobera, Libor (UMCH-V) RID, ORCID
Abbrent, Sabina (UMCH-V) RID, ORCID
Brus, Jiří (UMCH-V) RID, ORCID
Ning, W. (SE)
Gao, F. (SE)Zdroj.dok. Chemical Science . - : Royal Society of Chemistry - ISSN 2041-6520
Roč. 12, č. 5 (2021), s. 1730-1735Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova lead-free halide double perovskites ; Fe3+ doping/alloying ; ssNMR Vědní obor RIV CB - Analytická chemie, separace Obor OECD Analytical chemistry CEP GA19-05259S GA ČR - Grantová agentura ČR Způsob publikování Open access Institucionální podpora UMCH-V - RVO:61389013 UT WOS 000617028900013 EID SCOPUS 85101099766 DOI 10.1039/D0SC05264G Anotace Although lead-free halide double perovskites are considered as promising alternatives to lead halide perovskites for optoelectronic applications, state-of-the-art double perovskites are limited by their large bandgap. The doping/alloying strategy, key to bandgap engineering in traditional semiconductors, has also been employed to tune the bandgap of halide double perovskites. However, this strategy has yet to generate new double perovskites with suitable bandgaps for practical applications, partially due to the lack of fundamental understanding of how the doping/alloying affects the atomic-level structure. Here, we take the benchmark double perovskite Cs2AgInCl6 as an example to reveal the atomic-level structure of double perovskite alloys (DPAs) Cs2AgIn1−xFexCl6 (x = 0–1) by employing solid-state nuclear magnetic resonance (ssNMR). The presence of paramagnetic alloying ions (e.g. Fe3+ in this case) in double perovskites makes it possible to investigate the nuclear relaxation times, providing a straightforward approach to understand the distribution of paramagnetic alloying ions. Our results indicate that paramagnetic Fe3+ replaces diamagnetic In3+ in the Cs2AgInCl6 lattice with the formation of [FeCl6]3−·[AgCl6]5− domains, which show different sizes and distribution modes in different alloying ratios. This work provides new insights into the atomic-level structure of bandgap engineered DPAs, which is of critical significance in developing efficient optoelectronic/spintronic devices. Pracoviště Ústav makromolekulární chemie Kontakt Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Rok sběru 2022 Elektronická adresa https://pubs.rsc.org/en/content/articlelanding/2021/SC/D0SC05264G#!divAbstract
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