Perovskite Materials and Applications

This study presents a comprehensive first-principles (DFT) investigation of the structural, electronic, optical, and thermodynamic properties of the LiSnI 3 perovskite. Structural optimization confirms a stable cubic LiSnI 3 perovskite phase with a lattice constant of 6.22 Å and a bulk modulus of 16.77 GPa, supported…

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The mixing of organic cations represents yet another direction to explore in the field of chiral organic-inorganic hybrid metal halides (OIHMH). Here, we perform structural optimizations, electronic structures, and non-linear optical (NLO) studies using the density functional theory of two recently synthesized chiral…

Perovskite solar cells based on methylammonium lead iodide (MAPbI 3 ) exhibit remarkable photovoltaic performance, where interface engineering with hole transport layers is crucial for optimizing charge transfer and overall interfacial electronic properties. In this work, we present a density functional theory study o…

While [6,6]‐phenyl‐C 61 ‐butyric acid methyl ester (PCBM)/bathocuproine (BCP) is widely used as an electron transport stack in inverted perovskite solar cells (PSCs), its interfacial properties remain insufficiently studied. To clarify whether this interface can be optimized to enhance device performance, this work im…

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Abstract Transparent conducting oxides (TCOs) are critical components of perovskite solar cells (PSCs), motivating the search for low-cost and scalable alternatives to conventional fluorine-doped tin oxide (FTO). Among the proposed alternatives, Al-doped ZnO (AZO) has been widely investigated as a low-cost, indium-fre…

ABSTRACT In recent years, research on the ferroelectric coupling photovoltaic effect has gained remarkable advances in enhancing the efficiency and stability of perovskite solar cells (PSCs). Herein, Fe‐doped Zn 2 SnO 4 ferroelectric thin films were produced at room temperature via the magnetron co‐sputtering method a…

We report the first incorporation of diverse lacunary polyoxometalate (POM) nanocluster materials as efficient interface modifiers in perovskite solar cells (PSCs). Devices utilizing POM-modified SnO 2 electron transport layers demonstrated marked improvements in open-circuit voltage (V OC ), short-circuit current den…

In this study, we investigate the incorporation of cadmium sulfide (CdS) quantum dots (QDs) into the active layer of triple‐cation perovskite solar cells (PSCs) to simultaneously enhance device efficiency and operational stability. A systematic optimization revealed that 0.75 wt.% CdS QDs significantly improve perovsk…

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2D colloidal nanoplatelets (NPLs) are highly attractive for light-emitting devices (LEDs) due to their thickness-dependent electronic structure and distinct excitonic properties. However, most heterostructured core/shell NPLs predominantly emit in the red spectral region and extending their emission toward shorter wav…