相关论文: Defect Properties of Na and K in Cu2ZnSnS4 from Hy…

Cu2ZnSnS4 (CZTS) is a promising photovoltaic absorber material with earth abundant and nontoxic elements. However, the detrimental native defects and secondary phases of CSTS will largely reduce the energy conversion efficiencies. To…

Cu2ZnSnS4 (CZTS) is a promising material as an absorber in photovoltaic applications. The measured efficiency, however, is far from the theoretically predicted value for the known CZTS phases. To improve the understanding of this…

Cu2ZnSnS4 (CZTS) is a promising thin-film solar-cell material consisted of earth abundant and nontoxic elements. Yet, there exists a fundamental bottle neck that hinders the performance of the device due to complexed intrinsic defects…

The Cu$_2$BaSnS$_4$ (CBTS) and Cu$_2$SrSnS$_4$ (CSTS) semiconductors have been recently proposed as potential wide band gap photovoltaic absorbers. Although several measurements indicate that they are less affected by band tailing than…

In this work, first principle calculations of Cu$_2$ZnSnS$_4$ (CZTS), Cu$_2$ZnGeS$_4$ (CZGS) and Cu$_2$ZnSiS$_4$ (CZSS) are performed to highlight the impact of the cationic substitution on the structural, electronic and optical properties…

Zinc sulfide (ZnS) based materials are widely used in many applications. Yet, due to a lack of detailed knowledge of defect energy levels, the electrical properties and luminescence mechanisms in the materials still give rise to debate.…

In the quest for efficient and cost-effective photovoltaic absorber materials beyond silicon, considerable attention has been directed toward exploring alternatives. One such material, zincblende-derived Cu2ZnSnS4 (CZTS), has shown promise…

Co-evaporation of Cu-KF-In-Se was performed on substrates with varied surface Na compositions. Compositions of interest for photovoltaic absorbers were studied, with ratios of (K+Cu)/In ~ 0.85 and K/(K+Cu) ~ 0 - 0.57. Soda-lime glass (SLG)…

Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn, Mg, and Ca; X = S and Se) alloy, and have further investigated the electronic and…

Mossbauer analysis is carried out on CZTS samples, subjected to a low temperature processing at 3000C (S1) and high temperature processing at 5500C under sulfur environment (S2). Loss of Sn is observed in sample S2 due to high temperature…

In this work, we investigate $CO_{2}$ activation on ZnS using Near Ambient-Pressure X-ray photoelectron spectroscopy measurements (NAP-XPS) and density functional theory calculations (DFT). Our NAP-XPS experiments reveal that $CO_{2}$…

The Cu2ZnSn(S, Se)4 (CZTSSe) emerging inorganic solar cell is highly promising for accelerating the large-scale and low-cost applications of thin-film photovoltaics. It possesses distinct advantages such as abundant and non-toxic…

This study underscores the pivotal role of sodium (Na) supply in optimizing the optoelectronic properties of wide bandgap (~1.6 eV) Cu(In,Ga)S2 (CIGS) thin film absorbers for high efficiency solar cells. Our findings demonstrate that the…

The monolithic tandem integration of third-generation solar energy materials on silicon holds great promise for photoelectrochemistry and photovoltaics. However, this can be challenging when it involves high-temperature reactive processes,…

The electronic and optical properties of CdGa2Te4 and ZnGa2Te4 were studied using first-principles DFT calculations. Band gaps were calculated using the GGA-PBESol functional. Both materials show promise for photovoltaic applications…

We present a detailed study of common intrinsic defects in CuInS$_2$ and CuGaS$_2$ using the Heyd, Scuseria and Ernzerhof (HSE) hybrid functional scheme. The impact of the two HSE parameters, $\alpha$ and $\omega$ on the band gap and…

Thin-film solar cells based on the semiconductor Cu$_2$ZnSnS$_4$ (CZTS) are a promising candidate for Terawatt-scale renewable energy generation. While CZTS is composed of earth abundant and non-toxic elements, arranged in the kesterite…

Combining experimental and theoretical tools, we report that Zn vacanciesplay an important role in the electronic and optical responses of ZnS sphalerite. The defective surface of ZnS (001) single crystal prepared in ultra-highvacuum…

A Copper-Zinc-Tin-Sulphide (CZTS)based solar cell with a modified ce3ll configuration of Mo/SnS/CZTS/SnS2/ZnO is simulated using SCAPS. An SnS2 buffer layer is used in simulation instead of the standard CdS layer. An additional back surface…

By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investigated. We report the study of Ge and Sn substitution in the…