Searcharxiv⌕ Search
Home/Archive/arXiv

arXiv · 1801.07078

Double Perovskites overtaking the single perovskites : A set of new solar harvesting materials with much higher stability and efficiency

Jiban Kangsabanik·Vipinraj Sugathan·Anuradha Yadav·Aswani Yella·Aftab Alam
View original source ↗Read source document ↗Export metadata ↓

Abstract

Hybrid Lead halide perovskites, despite having unique intrinsic properties with the possibility of flexible synthesis and device fabrication, still suffer from two fundamental issues, i.e. stability in external environment and toxicity due to lead. More recently, double perovskite materials have emerged as a promising choice. The main outcome from various studies on this class can essentially be summarized into two categories, (i) either they have indirect band gap or (ii) direct but large optical band gap, which are not suitable for solar devices. Here we propose a combinatorial set of stable double perovskite materials, Cs$_2$BB$^{'}$X$_6$ (for various B, B$^{'}$) (X=Cl,Br,I), which show indirect to direct band gap transition via small Pb$^{+2}$ doping. This kind of doping has helped to change the topology of band structure triggering an optically allowed transition from valence band maxima to conduction band minima. It also reduces the band gap significantly, bringing it well in the visible region. Simulation reveals comparable/higher absorption coefficient and solar efficiency with respect to the state of the art photovoltaic absorber material CH$_3$NH$_3$PbI$_3$. Our experimentally measured properties on Cs$_2$(Ag$_{0.75}$Pb$_{0.25}$)(Bi$_{0.75}$Pb$_{0.25}$)Br$_6$ agrees fairly well with the theoretical predictions. With higher stability than CH$_3$NH$_3$PbI$_3$, this material shows the potential to be a better candidate.

Explore related subjects

cond-mat.mtrl-sci

Keep this discovery

BibTeXRIS

Jiban Kangsabanik, Vipinraj Sugathan, Anuradha Yadav, Aswani Yella, Aftab Alam. 2018-01-22. Double Perovskites overtaking the single perovskites : A set of new solar harvesting materials with much higher stability and efficiency. https://doi.org/10.1103/physrevmaterials.2.055401

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Measuring chiral phonons

Chiral phonons are quantized vibrations where the atomic motion in a solid breaks improper rotation symmetries. In many cases, chiral phonons possess angular momenta and are therefore selective to circularly polarized light. Both fundamental and applied research efforts on chiral phonons have been gaining increasing attention owing to their importance in a variety of fields including spintronics, spin-selective chemical reactions, thermal transport, quantum information processing and biosensing, where the bi-directional spin-lattice coupling enabled by chiral phonons can be harnessed in new ways, and potentially lead to new functionalities. Thus far, the studies of chiral phonons across diverse materials platforms have evolved largely independently within these fields, but the experimental techniques are often interrelated. In this perspective, we present a detailed description, as well as advantages and disadvantages of the current approaches for experimentally measuring chiral phonons in chiral and achiral materials. We conclude with a discussion of new methods for measuring chiral phonons. Ultimately, this work seeks to offer an experimental guide for systematically investigating the properties of chiral phonons in various materials systems and applications.

cond-mat.mtrl-sci↗
arXiv2026

A model of grain growth in UN integrating molecular dynamics, phase-field modeling, and uncertainty quantification

Grain growth kinetics and grain-boundary (GB) properties in uranium mononitride (UN) are investigated through an integrated multiscale framework combining molecular dynamics (MD), phase-field modeling, and surrogate-assisted uncertainty quantification. MD simulations yield GB energies for 27 symmetric tilt boundaries from 0--2000~K, which are consistent with available DFT values. The average GB energy is nearly temperature-independent below 1000~K and increases at higher temperatures. A mechanistic pore-drag model applied to the only available grain growth dataset for actinide nitrides yields a mobility reduction factor of $s \approx 0.93$--$0.99$, statistically indistinguishable from unity, confirming that pore drag is negligible under the experimental conditions. The intrinsic GB mobility is therefore extracted directly from the effective mobility, yielding $M_0 = 2.05\times10^{-15}$~m$^4$/(J$\cdot$s) and $Q_M = 0.89$~eV. Phase-field simulations conducted from 1500--2000~K confirm normal curvature-driven grain growth, with grain size distributions converging to the Hillert-like form. A surrogate-assisted global sensitivity analysis---combining principal component analysis, Gaussian process regression, and Sobol decomposition---reveals that the mobility prefactor $M_0$ dominates output variance at all times, followed by the activation energy $Q_M$, while the GB energy $\gamma$ contributes minimally. These results establish the first quantitative grain growth framework for UN and identify the reduction of uncertainty in $M_0$ and $Q_M$ as the highest-priority target for future experimental efforts.

cond-mat.mtrl-sci↗
arXiv2026

Silicon Solar Cell Design for >30% Efficiency via Singlet Fission

Singlet fission (SF) materials convert high-energy photons into multiple charge carriers, providing a route to exceed the efficiency limits of single-junction silicon solar cells without many of the complexities of multi-junction tandem designs. Following the first demonstration of an SF-enhanced silicon solar cell in 2025, there is a need to understand how SF materials can be effectively integrated into high-efficiency industrial silicon devices and translated from proof of concept to a manufacturable technology. Using coupled optical and electrical simulations, we assess the efficiency potential of several industrially relevant silicon cell architectures combined with SF materials. Interdigitated back-contact (IBC) cells offer the greatest potential for improvement due to unrestricted front-surface access and can achieve efficiencies exceeding 33%. However, performance is highly sensitive to front-surface passivation quality. Appropriate silicon design, particularly controlled surface doping and fixed interfacial charge, can mitigate recombination losses and relax passivation requirements for ultra-thin exciton-transfer layers.

cond-mat.mtrl-sci↗