Lead-Free Solid State Mechanochemical Synthesis of CsNaBiFeCl Double Perovskite: Reduces Band Gap and Enhances Optical Properties.

Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe ions into the CsNaBiCl crystal unit and reveal a crystallographic and optoelectronic study of the CsNaBiFeCl double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of CsNaBiFeCl phosphor.

Revealing the electronic structure, heterojunction band offset and alignment of CuZnGeSe: a combined experimental and computational study towards photovoltaic applications.

Cu2ZnGeSe4 (CZGSe) is a promising earth-abundant and non-toxic semiconductor material for large-scale thin-film solar cell applications. Herein, we have employed a joint computational and experimental approach to characterize and assess the structural, optoelectronic, and heterojunction band offset and alignment properties of a CZGSe solar absorber. The CZGSe films were successfully prepared using DC-sputtering and e-beam evaporation systems and confirmed by XRD and Raman spectroscopy analyses.

Ternary CuSnS: Synthesis, Structure, Photoelectrochemical Activity, and Heterojunction Band Offset and Alignment.

Ternary CuSnS (CTS) is an attractive nontoxic and earth-abundant absorber material with suitable optoelectronic properties for cost-effective photoelectrochemical applications. Herein, we report the synthesis of high-quality CTS nanoparticles (NPs) using a low-cost facile hot injection route, which is a very simple and nontoxic synthesis method. The structural, morphological, optoelectronic, and photoelectrochemical (PEC) properties and heterojunction band alignment of the as-synthesized CTS NPs have been systematically characterized using various state-of-the-art experimental techniques and atomistic first-principles density functional theory (DFT) calculations.