First-principles calculations to investigate structural, electronics, optical, and mechanical properties of Bi-based novel fluoroperovskites TBiF3 (T= Hg, Xe) for …
The present study investigates the structural, electronics, optical, and mechanical properties
of bismuth-based novel fluoroperovskites TBiF 3 (T= Hg, Xe) with the help of first-principles …
of bismuth-based novel fluoroperovskites TBiF 3 (T= Hg, Xe) with the help of first-principles …
Studying temperature effects on electronic and optical properties of cubic CH3NH3SnI3 perovskite
CH 3 NH 3 SnI 3 is a promising lead-free perovskite structure for the absorber layer in solar
cells. In this work, for the first time, we simulated the effect of temperature change on the …
cells. In this work, for the first time, we simulated the effect of temperature change on the …
Stability improvement of perovskite solar cell using photoswitchable and moisture resistant dual-function interfacial layer
Although the power conversion efficiency of organo-halide perovskite solar cells (PSCs) has
reached up to 25.5%, they face challenges to their commercialization due to the lack of …
reached up to 25.5%, they face challenges to their commercialization due to the lack of …
Pressure induced variations in the optoelectronic response of ASnX3 (A= K, Rb; X= Cl, Br, I) perovskites: A first principles study
Lead free perovskites are crucial for the environmental friendly solar cell materials. ASnX 3
(A= Rb, K; X= Cl, Br, I) perovskites have been relatively less explored compared to other …
(A= Rb, K; X= Cl, Br, I) perovskites have been relatively less explored compared to other …
Structural and compositional properties of 2D CH 3 NH 3 PbI 3 hybrid halide perovskite: a DFT study
Two-dimensional (2D) hybrid halide perovskites have been scrutinized as candidate
materials for solar cells because of their tunable structural and compositional properties …
materials for solar cells because of their tunable structural and compositional properties …
Investigate the interaction of testosterone/progesterone with ionic liquids on varying the anion to combat COVID‐19: Density functional theory calculations and …
Hormones like testosterone and progesterone in the humans play significant role in the
regulation of various biological processes like the body growth, reproduction, and others. In …
regulation of various biological processes like the body growth, reproduction, and others. In …
DFT study of electronic and optical properties of CH3NH3SnI3 perovskite
ABSTRACT CH3NH3SnI3 perovskite is an interesting compound for optoelectronics
applications. In this paper, we report the results of our investigations on the electronic and …
applications. In this paper, we report the results of our investigations on the electronic and …
First-principles insight into the structural and optoelectronic properties of Sn-and Pb-based hybrid halide perovskites for photovoltaic applications
In this work, we have theoretically investigated structural and optoelectronic properties of Sn
and Pb halide perovskites incorporating trimethylammonium (TMA+) organic cation by …
and Pb halide perovskites incorporating trimethylammonium (TMA+) organic cation by …
Electronic and optical properties of halide double-perovskites under strain: A density functional study
N Zarabinia, R Rasuli - … Sources, Part A: Recovery, Utilization, and …, 2021 - Taylor & Francis
Halide double perovskite has emerged as a novel class of semiconducting materials to
solve the challenges of Pb-based halide perovskite solar cells such as instability, toxicity …
solve the challenges of Pb-based halide perovskite solar cells such as instability, toxicity …
Exploring the stability and physical properties of double perovskite Cs2SnI6 by doping the Cl/Br atom: A DFT study
In recent years, it is of great interest to develop stable and high efficiency lead-free
perovskite materials. Double perovskite Cs 2 SnX 6 (X= Cl, Br, I) shows excellent stability …
perovskite materials. Double perovskite Cs 2 SnX 6 (X= Cl, Br, I) shows excellent stability …