Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations-Reference-Cited by-同舟云学术

Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations

Published:2024-02-06 Issue:3 Volume:30 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Caid Messaoud,Rached Djamel,Rached Habib,Rached Youcef

Publisher

Springer Science and Business Media LLC

Link

https://link.springer.com/content/pdf/10.1007/s00894-024-05861-z.pdf

Reference75 articles.

1. McClure ET, Ball MR, Windl W, Woodward PM (2016) Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors. Chem Mater 28:1348–1354. https://doi.org/10.1021/acs.chemmater.5b04231

2. Slavney AH, Hu T, Lindenberg AM, Karunadasa HI (2016) A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications. J Am Chem Soc 138:2138–2141. https://doi.org/10.1021/jacs.5b13294

3. Greul E, Petrus Michiel L, Binek A et al (2017) Highly stable, phase pure Cs2AgBiBr6 double perovskite thin films for optoelectronic applications. J Mater Chem A 5:19972–19981. https://doi.org/10.1039/c7ta06816f

4. Zhao X-G, Yang J-H, Fu Y et al (2017) Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation. J Am Chem Soc 139:2630–2638. https://doi.org/10.1021/jacs.6b09645

5. Volonakis G, Haghighirad AA, Milot RL et al (2017) Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap. J Phys Chem Lett 8:772–778. https://doi.org/10.1021/acs.jpclett.6b02682

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