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Understanding and controlling the energy level alignment at interfaces between lead halide perovskites and electron transport layers is crucial for optimizing charge extraction by minimizing recombination losses in high-efficiency…

As single junction thin-film technologies, both Si heterojunction (HIT) and Perovskite based solar cells promise high efficiencies at low cost. One expects that a tandem cell design with these cells connected in series will improve the…

General Physics · Physics 2015-07-02 Reza Asadpour , Raghu V. K. Chavali , M. Ryyan Khan , Muhammad A. Alam

The effects of Co addition on the chemical and electronic structure of PbTiO$_3$ were explored both by theory and through experiment. Cobalt was incorporated to PbTiO$_3$ during sol gel process. The XRD data of the compounds confirmed the…

Strongly Correlated Electrons · Physics 2020-05-13 Ersen Mete , Selda Odabaşı , Haiyan Mao , Tiffany Chung , Şinasi Ellialtıoğlu , Jeffrey A. Reimer , Oğuz Gülseren , Deniz Uner

SrTiO$_3$ is a model perovskite compound with unique properties and technological relevance. At 105 K it undergoes a transition from a cubic to a tetragonal phase with characteristic antiferrodistortive rotations of the TiO$_6$ octahedra.…

Strongly Correlated Electrons · Physics 2019-06-07 Vijaya Begum , Markus Ernst Gruner , Rossitza Pentcheva

Identification of charge carrier separation processes in perovskite/silicon tandem solar cells and recombination at buried interfaces of charge selective contacts is crucial for photovoltaic research. Here, intensity- and wavelength-…

Materials Science · Physics 2025-07-15 Maxim Simmonds , Ke Xu , Steve Albrecht , Lars Korte , Igal Levine

Organic-inorganic halide perovskites recently have emerged as a promising material for highly effective light-emitting diodes (LEDs) and solar cells (SCs). Despite efficiencies of both perovskite SCs and LEDs are already among the best, the…

Successful commercialization of Perovskite/Si tandem solar cells (P/Si TSCs) need a-priori estimation of technological benchmarks to outperform c-Si based technologies under field conditions. To this end, through detailed numerical…

Materials Science · Physics 2022-07-05 Ganga Vinod Chittiboina , Pradeep R. Nair

Mixed-anion mixed-cation perovskites with (FAPbI$_3$)$_{1-x}$(MAPbBr$_3$)$_x$ composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behaviour is not well understood yet, in part because their…

We present a solvothermal synthetic route to produce monodispersed CuO nanoparticles (NPs) in the range of 5-10 nm that can be used as hole selective interfacial layer between indium tin oxide (ITO) and perovskite active layer for p-i-n…

The stability, electronic structure, optical and thermoelectric properties of Te-doped BaTiO3 are investigated by first-principal calculation based on the density functional theory and Boltzmann transport theory implemented in WIEN2K and…

Materials Science · Physics 2022-02-16 Meryem Ziati , Hamid Ez-Zahraouy

The electronic, magnetic and optical properties of the double perovskite Sr$_2$CoIrO$_6$ (SCIO) under biaxial strain are explored in the framework of density functional theory (DFT) including a Hubbard $U$ term and spin-orbit coupling (SOC)…

Strongly Correlated Electrons · Physics 2021-11-24 Jiongyao Wu , Marcel Ney , Sebastian Esser , Vijaya Begum , Günther Prinz , Axel Lorke , Philipp Gegenwart , Rossitza Pentcheva

Polar metals are rare because free carriers in metals screen electrostatic potential and eliminate internal dipoles. Degenerate doped ferroelectrics may create an approximate polar metallic phase. We use first-principles calculations to…

Computational Physics · Physics 2019-06-03 Chengliang Xia , Yue Chen , Hanghui Chen

In the past few years, the meteoric development of hybrid organic--inorganic perovskite solar cells (PSC) astonished the community. The efficiency has already reached the level needed for commercialization; however, the instability hinders…

Materials Science · Physics 2016-04-26 Fedwa El-Mellouhi , El Tayeb Bentria , Sergey N Rashkeev , Sabre Kais , Fahhad H Alharbi

Upconversion of sub-band-gap photons constitutes a promising way for improving the efficiency of silicon-based solar cells beyond the Shockley-Queisser limit. 1500 to 980 nm upconversion by trivalent erbium ions is well-suited for this…

As an appealing concept for developing next-generation solar cells, intermediate-band solar cells (IBSCs) promise to drastically increase the quantum efficiency of photovoltaic conversion. Yet to date, a standing challenge lies in the lack…

Materials Science · Physics 2012-10-10 Fengcheng Wu , Haiping Lan , Zhenyu Zhang , Ping Cui

We present the electrostatic control of photoluminescence of monolayer MoS$_2$ at room temperature via integration of free-standing BaTiO$_3$ (BTO), a ferroelectric perovskite oxide, layers. We show that the use of BTO leads to highly…

Ionic migration in organo-halide perovskites plays an important role in operation of perovskite based solar cells and light emitting diodes. Despite the ionic migration being a reversible process, it often leads to worsening of perovskite…

All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associated with organic cations. To find a compromise between the…

Materials Science · Physics 2026-04-28 Mike Pols , Adri C. T. van Duin , Sofía Calero , Shuxia Tao

Stability and toxicity issues with the hybrid lead iodide perovskite MAPbI$_3$ necessitate a hunt for potential alternatives. Here, we shed light on promising photovoltaic properties of gold mixed-valence halide perovskites…

Materials Science · Physics 2020-01-07 Jiban Kangsabanik , Supriti Ghorui , M. Aslam , Aftab Alam

Perovskite Solar Cells (PSCs) have garnered global research interest owing to their superior photovoltaic (PV) performance. The future of photovoltaic technology lies in PSCs since they can produce power with performance on par with the…

Materials Science · Physics 2025-09-18 Arghya Paul , Kanak Raj , Prince Raj Lawrence Raj , Pratim Kumar
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