Structural, electronic and optical properties of CsPbX3 (X= Cl, Br, I) for energy storage and hybrid solar cell applications
Abstract Organic-Inorganic perovskites CsPbX 3 (X= Cl, Br, I) are investigated for their
potential ability and use as solar cells and energy storage materials, using density function …
potential ability and use as solar cells and energy storage materials, using density function …
Simulation and optimization studies on CsPbI3 based inorganic perovskite solar cells
V Sebastian, J Kurian - Solar Energy, 2021 - Elsevier
Cesium lead iodide (CsPbI 3) based perovskite solar cell (PSC) with inorganic electron and
hole transport layers is simulated using SCAPS 1D to find optimum performance conditions …
hole transport layers is simulated using SCAPS 1D to find optimum performance conditions …
Electronic structure, optical and thermal response of lead-free RbAuBr3 and RbAuBr4 perovskites for renewable energy applications
The presence of toxic lead in the perovskites is the major hurdle in commercializing these
novel materials-based devices. The first principles calculations have been conducted to …
novel materials-based devices. The first principles calculations have been conducted to …
Electronic and optical properties of core–shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ, HSE06, G 0 W 0 and BSE methods
Currently, self-induced InAlN core–shell nanorods enjoy an advanced stage of accumulation
of experimental data from their growth and characterization as well as a comprehensive …
of experimental data from their growth and characterization as well as a comprehensive …
Band gap engineering and optoelectronic properties of all-inorganic Ruddlesden-Popper halide perovskites Cs2B (X1-uYu) 4 (B= Pb, Sn; X/Y= Cl, Br, I)
In this article two-dimensional Ruddlesden-Popper (2DRP) halide perovskites Cs 2 B (X 1-u
Y u) 4 where B= Pb, Sn; X/Y= Cl, Br, I; and u= 0, 0.25, 0.5, 0.75, 1 are investigated for …
Y u) 4 where B= Pb, Sn; X/Y= Cl, Br, I; and u= 0, 0.25, 0.5, 0.75, 1 are investigated for …
Y2CF2 and Lu2CF2 MXenes under applied strain: Electronic, optical, and photocatalytic properties
ZK Baghini, A Mostafaei, M Abbasnejad - Journal of Alloys and Compounds, 2022 - Elsevier
The structural, electronic, optical, and photocatalytic properties of 2D Y 2 CF 2 and Lu 2 CF 2
MXenes are investigated by density functional theory approach. According to the obtained …
MXenes are investigated by density functional theory approach. According to the obtained …
Lead-free Dion–Jacobson halide perovskites CsMX2Y2 (M= Sb, Bi and X, Y= Cl, Br, I) used for optoelectronic applications via first principle calculations
In this study, all-inorganic two-dimensional Dion–Jacobson halide perovskites (DJ-HPs)
CsMX 2 Y 2 (M= Sb, Bi; and X/Y= I/I, I/Br, Br/Br, I/Cl, Br/Cl, Cl/Cl) have been studied for …
CsMX 2 Y 2 (M= Sb, Bi; and X/Y= I/I, I/Br, Br/Br, I/Cl, Br/Cl, Cl/Cl) have been studied for …
Structural and optoelectronic properties of Ge-and Si-based inorganic two dimensional Ruddlesden Popper halide perovskites
In the present work silicon (Si) and germanium (Ge) based two dimensional Ruddlesden-
Popper halide perovskites (2DRP-HPs) Cs 2 BX 2 Y 2 (B= Ge/Si and X/Y= Cl/Cl, Br/Cl, I/Cl …
Popper halide perovskites (2DRP-HPs) Cs 2 BX 2 Y 2 (B= Ge/Si and X/Y= Cl/Cl, Br/Cl, I/Cl …
First principle study of band gap nature, spontaneous polarization, hyperfine field and electric field gradient of desirable multiferroic bismuth ferrite (BiFeO3)
Electronic band structure, spontaneous polarization, hyperfine fields and electric field
gradients (EFG) of the desirable multiferroic BiFeO 3 (BFO) are explored in R3c space …
gradients (EFG) of the desirable multiferroic BiFeO 3 (BFO) are explored in R3c space …
Controlling the electro-optical properties of an AlSb monolayer with a DLHC Structure through phosphorus alloying: a DFT study
The experimental knowledge of the AlSb monolayer with a double-layer honeycomb
structure is largely based on a recent publication [Le Qin et al., ACS Nano 2021, 15, 8184] …
structure is largely based on a recent publication [Le Qin et al., ACS Nano 2021, 15, 8184] …