Results 91 to 100 of about 8,966 (267)

Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials

Advanced Materials, EarlyView.
A long‐standing collaboration between the Torres and Guldi groups has yielded diverse azaporphyrinoid‐based donor‐acceptor nanohybrids with promising applications in solar energy conversion. This conspectus highlights key molecular platforms and structure‐function relationships that govern light and charge management, supporting the rational design of ...
Jorge Labella, Kobra Azizi, Dirk M. Guldi, Tomás Torres   +3 more
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Lead-Free Double Perovskites: A Review of the Structural, Optoelectronic, Mechanical, and Thermoelectric Properties Derived from First-Principles Calculations, and Materials Design Applicable for Pedagogical Purposes

Crystals
Metal halide perovskite materials have shown significant advancements in their application as light absorbers in perovskite solar cells, with power conversion efficiencies reaching 27%. However, lead-based perovskites pose a concern due to their toxicity
David O. Obada, Shittu B. Akinpelu, Simeon A. Abolade, Emmanuel Okafor, Aniekan M. Ukpong, Syam Kumar R, Akinlolu Akande   +6 more
doaj   +1 more source

Lone Pair Effect, Structural Distortions and Potential for Superconductivity in Tl Perovskites

, 2013
Drawing the analogy to BaBiO3, we investigate via ab-initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb, Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3.
Cava, R. J., Felser, Claudia, Müchler, Lukas, Schoop, Leslie M.   +3 more
core   +1 more source

Beyond Earth: Resilience of Quasi‐2D Perovskite Solar Cells in Space

Advanced Materials, EarlyView.
In the article (DOI: 10.1002/adma.202520433), Christoph Putz and co‐workers demonstrate rigid quasi‐2D perovskite solar cells operating in low Earth orbit, delivering stable power for more than 100 days under real‐space conditions. In‐orbit performance is correlated with extensive ground‐based thermal and proton‐irradiation studies on rigid and ...
Christoph Putz, Lukas E. Lehner, Stepan Demchyshyn, Bekele Hailegnaw, Phillip Jahelka, Magdalena Breitwieser, Sercan Özen, Andrea Denker, Jürgen Bundesmann, Alina Hanna Dittwald, Dilara Karabulut, Philipp Tockhorn, Steve Albrecht, Felix Lang, Markus C. Scharber, Michael D. Kelzenberg, Harry A. Atwater, Martin Kaltenbrunner   +17 more
wiley   +1 more source

High Seebeck coefficient and ultra-low lattice thermal conductivity in Cs2InAgCl6

, 2018
The elastic, electronic and thermoelectric properties of indium-based double-perovskite halide, Cs2InAgCl6 have been studied by first principles study.
Haque, Enamul, Hossain, M. Anwar
core  

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source

New class of 3D topological insulator in double perovskite

, 2016
We predict a new class of three-dimensional topological insulators (TIs) in which the spin-orbit coupling (SOC) can more effectively generate a large band gap at $\Gamma$ point.
Kim, Jeongwoo, Lu, Chi-Ken, Pi, Shu-Ting, Wang, Hui, Wang, Yin-Kuo, Wu, Ruqian   +5 more
core   +2 more sources

Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing

Journal of the American Chemical Society, 2020
All-inorganic halide double perovskites have emerged as a promising class of materials that are potentially more stable and less toxic than lead-containing hybrid organic-inorganic perovskite optoelectronic materials. In this work, 311 cesium chloride double perovskites (Cs2BB'Cl6) were selected from a set of 903 compounds as likely being stable on the
Christopher J. Bartel, Jacob M. Clary, Christopher Sutton, Derek Vigil-Fowler, Bryan R. Goldsmith, Aaron M. Holder, Charles B. Musgrave   +6 more
openaire   +4 more sources

Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots

Advanced Materials, EarlyView.
A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler, Benjamin Aymoz, Sebastian Sabisch, Stefanie Frick, Sebastian Siol, Dmitry N. Dirin, Simon C. Boehme, Maksym V. Kovalenko   +7 more
wiley   +1 more source