Related papers: A precisely regulating phase evolution strategy fo…

We have used Rietveld refinement technique to determine the extent of intergrowth of Bi$_{2}$Sr$_{2}$CuO$_{6+x}$ phase and co-crystallization of competing phases in a high temperature superconductor Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+x}$…

The growth of heavily doped tunnel junctions in inverted metamorphic multijunction solar cells induces a strong diffusion of Zn via a point-defects-assisted mechanism. The redistribution of Zn can compensate the n-type doping in the emitter…

K$_x$Fe$_{2-y}$Se$_2$ exhibits an iron-vacancy ordering at $T_{\rm s} {\sim}270{\deg}$C and separates into two phases: a minor superconducting (iron-vacancy-disordered) phase and a major non-superconducting (iron-vacancy-ordered) phase. The…

Though the common metal electrode-based perovskite solar cells have achieved a power conversion efficiency of >25%, they also play a crucial role in accelerating the degradation of the cells. In this study, we investigated phase transition…

The strong spin$-$orbit coupling (SOC) and numerous crystal phases in few$-$layer transition metal dichalcogenides (TMDCs) MX$_2$ (M$=$W, Mo, and X$=$Te, Se, S) has led to a variety of novel physics, such as Ising superconductivity and…

While silicon solar cells dominate global photovoltaic energy production, their continued improvement is hindered by the single junction limit. One potential solution is to use molecular singlet exciton fission to generate two electrons…

Organic solar cells are a promising avenue for renewable energy, and our study introduces a comprehensive model to investigate exciton dissociation processes at the donor-acceptor interface. Examining quantum efficiency and emitted phonons…

Hybrid perovskite solar cells, with their power conversion efficiency (PCE) exceeding 22%, have been representing a revolutionary concept for future energy power generation. Although listed among the Top 10 Emerging Technologies of 2016,…

A comparative study of the structural, optical and morphological properties of Cu2ZnSnS4 (CZTS) thin films prepared by two different techniques was performed. One consists of sequential evaporation of the elemental metallic precursors under…

Methods that combine collective variable (CV) based enhanced sampling and global tempering approaches are used in speeding-up the conformational sampling and free energy calculation of large and soft systems with a plethora of energy…

Molybdenum disulfide (MoS2) has emerged as a promising, cost-effective catalyst for hydrogen production via water splitting. We investigate the structural and electrocatalytic properties of MoS2 thin films deposited on different substrates…

Zeeman deceleration is a relatively new technique used to obtain full control over the velocity of paramagnetic atoms or molecules in a molecular beam. We present a detailed description of a multistage Zeeman decelerator that has recently…

In future solar cell technologies, the thermodynamic Shockley-Queisser limit for solar-to-current conversion in traditional p-n junctions could potentially be overcome with a bulk photovoltaic effect by creating an inversion broken symmetry…

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…

Mixed-halide lead perovskites, with photoexcited charge-carrier properties suitable for high-efficiency photovoltaics, hold significant promise for high-efficiency tandem solar cells. However, phase segregation under illumination, where an…

To obtain significant increases in the Power Conversion Efficiency (PCE) of solar cells, future cell research and development should be based on the concomitant improvement of multiple material properties, rather than on the…

We investigated stability and the electronic structure of extended defects including anti-site domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu$_2$ZnSnS$_4$ (CZTS) and Cu$_2$ZnSnSe$_4$ (CZTSe). Our hybrid…

A lead-free, completely inorganic, and non-toxic Cs2TiBr6-based double perovskite solar cell (PSC) was simulated via SCAPS 1-D. La-doped BaSnO3 (LBSO) was applied as the electron transport layer (ETL) unprecedentedly in the simulation study…

Research has demonstrated that zeolite nucleation and growth can be controlled by fine-tuning chemical composition, temperature, and pressure, resulting in structures with diverse porosities and functionalities. Nevertheless, current energy…

Antimony sulfide (Sb$_2$S$_3$), a compound of earth-abundant elements with highly anisotropic, quasi-layered crystal structure, triggered growing interest as a solar absorber in photovoltaics and as a phase change material in memory…