Role of metal and anions in organo-metal halide perovskites CH3NH3MX3 (M: Cu, Zn, Ga, Ge, Sn, Pb; X: Cl, Br, I) on structural and optoelectronic properties for photovoltaic applications

• Published in: RSC advances Vol. 12; no. 21; pp. 13281 - 13294
• Main Authors: Maliha Nishat, Md Kamal Hossain, Md Rakib Hossain, Khanom, Shamima, Ahmed, Farid, Md Abul Hossain
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 03.05.2022; The Royal Society of Chemistry
• Subjects: Absorption spectra; Anions; Cations; Chemistry; Copper; Density functional theory; Energy gap; Germanium; Lattice parameters; Lead free; Mathematical analysis; Metal halides; Metal ions; Optical properties; Optoelectronics; Orthorhombic phase; Perovskites; Photovoltaic cells; Refractivity; Solar cells; Tin; Zinc

Methylammonium metal halide perovskites have recently been explored for new uses due to their unique and exciting optoelectronic properties. Their exceptional electronic properties have often been attributed to the overlap between the metal cation s and halogen p states. In this study, density funct...