A DFT analysis of structural and electronic modulation of Cs 2 AgBiX 6 (X = Cl, Br) via A-site NH 4 + substitution for photovoltaic applications

RSC Advances 2026 Open access

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Authors: Sehrish Khan, M. Usman Saeed, Muhammad Zia ur Rehman, Shamiala Pervaiz, Bisma Asghar, A. H. Reshak, Hosam O. Elansary, Ihab Mohamed Moussa, Sohail Mumtaz, Y. Saeed
DOI: 10.1039/d6ra00870d
Cited by: 1
References: 76

Abstract

= 6.47%) as the most promising photovoltaic absorber. Overall, A-site ammonium engineering effectively tunes the structural, electronic, optical, and photocatalytic properties of Ag-Bi double perovskites for energy applications.

Fields of Study & Subjects

Perovskite Materials and Applications Inorganic Fluorides and Related Compounds Crystal Structures and Properties

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
26
Pages
23770–23782
Publication date
1 January 2026
Language
EN