The chemical composition engineering of lead halide perovskites via a partial or complete
replacement of toxic Pb with tin has been widely reported as a feasible process due to the …

The rapid advancements in material research for lead‐free inorganic metal halide
perovskites have fueled the pathway to design environmentally benign solar‐cells to cater …

Effective conversion of solar photons into electrical power through the development of smart
and eco‐friendly materials is one of the most extensively researched methods for generating …

The study of physical characteristics of lead-free double perovskites A2SnI6 (A= Cs, Rb) are
investigated via density functional theory. The mechanical conductions are satisfied by Born …

In this paper, the crystal structures, thermodynamic stability, electronic densities of states,
band structures, and optical properties of the nontoxic Pb‐free vacancy ordered double …

Mixed anion compounds in the Fm3̅m vacancy ordered perovskite structure were
synthesized and characterized experimentally and computationally with a focus on …

With the surge in perovskite research, practical features for future applications are desired to
be secured, but the reliability of the materials and the use of hazardous Pb are longstanding …

In this work, we have studied in detail the structural, electronic and optical properties of lead-
free double perovskites Rb 2 SeI 6 and K 2 SeI 6 based on first-principles calculations. Their …

In this paper, the structural, elastic, electronic and optical properties of lead-free double
perovskites Cs 2 CuBiX 6 (Xdouble bondI, Br, Cl) were studied by using first-principles …

The structural, electronic and optical properties of Cs 2 AgSbX 6 (X= I, Br, Cl) were
investigated based on first-principles calculation in this paper. The stability of these …