Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn–Sb–Q (Q = S, Se)

Abstract

Two semiconductor Zn–Sb–Q (Q = S, Se) were solvothermal synthesized and their photodegradation efficiency of MB reached more than 80%.

Investigation of a novel inorganic cubic perovskite Ca3PI3 with unique strain‐driven optical, electronic, and mechanical properties

“…Current research demonstrates a clear connection between applied strain and the structural characteristics of perovskite substances. [ 19–25 ] For instance, hybrid perovskite materials containing lead and tri‐iodide, with both organic and inorganic components, exhibit a synergistic reduction in bandgap and an impressive 70% to 100% increase in carrier‐lifetime extension when subjected to a gentle pressure below 0.3 GPa. [ 26 ] Furthermore, extensive investigations on CsPbI 3 by Jing et al.…”

Refining DIIS algorithms for Si and GaAs solar cells: incorporation of weight regularization, conjugate gradient, and reverse automatic differentiation techniques

“…Silicon (Si) [1][2][3] and gallium arsenide (GaAs) [4][5][6] -based solar cells are at the forefront of the global shift towards carbon neutrality, highlighting the importance of renewable energy technologies. 7 The application of density functional theory (DFT) has been pivotal in advancing the development of these solar cells.…”

“…For Si-based solar cells, Jarolimek et al 8 conducted a significant DFT study focusing on the band offsets between crystalline and hydrogenated amorphous silicon, thereby reconciling previous experimental discrepancies and enhancing the optimization of heterojunction solar cells. Concurrently, Wang et al 9 addressed the lattice mismatch challenge in III-V/Si multi-junction solar cells by using DFT to study hexagonal Si 1Àx Ge x buffer layers, devising strategies to mitigate this mismatch and advance the creation of more efficient solar cells. In the domain of GaAs solar cells, Ma et al 10 utilized hybrid DFT to explore the electronic and optical properties of Cr-doped GaAs, uncovering notable half-metallic characteristics and deep energy levels that offer vital understanding of photovoltaic performance.…”