Results 131 to 140 of about 23,096 (291)

Novel Tl2GeX6 (X=Cl,Br) double perovskites for solar cell, optoelectronic, and thermoelectric applications: A DFT investigation

Chemical Physics Impact
This study aims to investigate the structural, mechanical, optical, electronic, and thermoelectric properties of novel double perovskites Tl2GeCl6 and Tl2GeBr6.
Redi Kristian Pingak, Amine Harbi, Soukaina Bouhmaidi, Albert Z. Johannes, Nikodemus U.J. Hauwali, Wahidullah Khan, Fidelis Nitti, David Tambaru, M. Moutaabbid, Larbi Setti   +9 more
doaj   +1 more source

De Rerum Natura: How Do Halide Perovskites Self‐Heal From Damage?

Advanced Materials, EarlyView.
How can lead‐halide‐perovskites self‐heal after damage from light, heat, mechanical strain, or radiation? We show that reversible chemical defects underly performance losses and recovery, highlighting the roles of halide and proton migration, redox‐driven reactions, and acid‐base equilibria.
Davide Raffaele Ceratti, Gary Hodes, David Cahen   +2 more
wiley   +1 more source

Surface Reordering During Layer‐by‐Layer Growth on SrTiO3

Advanced Materials, EarlyView.
Surface structures (left) derived from DFT‐constrained fitting to crystal truncation rods measured by synchrotron X‐ray scattering (right) after each monolayer of deposition during the MBE growth of SrTiO3${\rm SrTiO}_{3}$ (001). The bottom panel shows the bare substrate, the middle panel shows island formation upon deposition of a single layer of SrO,
I‐Cheng Tung, Xi Yan, June‐Hyuk Lee, Yang Liu, Seo Hyoung Chang, Zhenlin Luo, Friederike Wrobel, Nicholas T. Cheung, Kaden R. Lopez, Michael J. Bedzyk, Hawoong Hong, John W. Freeland, Hua Zhou, Kendra Letchworth‐Weaver, Dillon D. Fong   +14 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

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

Lead-free halide double perovskites for sustainable environmental applications

Chemical Physics Impact
The development of renewable energy sources has become a crucial objective in today's world due to increasing environmental concerns and the depletion of fossil fuels. Solar energy has emerged as a promising alternative. In recent years, there has been a
Ruby Jindal, Archana Tripathi, Chandra Mohan, Alka Garg, Rajender S. Varma   +4 more
doaj   +1 more source

Triggered Ferroelectricity in HfO2 From Hybrid Phonons and Higher‐Order Dynamical Charges

Advanced Materials, EarlyView.
We combine first‐principles calculations, LGD theory and group theory to demonstrate the mechanism of hybrid‐triggered ferroelectricity in HfO2${\rm HfO}_2$, enabled by trilinear and quadlinear couplings between stable polar and nonpolar modes. HfO2${\rm HfO}_2$ hosts unconventional interplay between structure modes where substantial contribution to ...
Seongjoo Jung, Turan Birol
wiley   +1 more source

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

Freeform Fabrication of Layered Halide Perovskite Nanowire Heterojunctions

Advanced Materials, EarlyView.
‘All‐at‐once’ freeform fabrication of layered perovskite nanowire heterojunctions is realized by 3D printing employing meniscus‐guided crystallization. The integration of nanoscale additive manufacturing with layered halide perovskites will provide a versatile platform to freely design and realize highly stable perovskite‐based optoelectronic ...
Sixi Cao, Yu Liu, Zhuofei Gan, Shiqi Hu, Jihyuk Yang, Zhuoran Wang, Mingjian Yuan, Wen‐Di Li, Ji Tae Kim   +8 more
wiley   +1 more source

Patterning of Lead Halide Perovskite Device Stacks on CMOS Readout Using Selective Microfabrication Protocols

Advanced Materials, EarlyView.
We present a microfabrication and integration strategy for lead halide perovskite photodetectors on electronic readouts. Standard photolithography, aqueous processing, selective transparent electrode etching, and plasma‐assisted pixel isolation enable precise monolithic integration of patterned 400 × 400 perovskite microphotodetector arrays on a CMOS ...
Sergey Tsarev, Erfu Wu, Kyuik Cho, Xuqi Liu, Quang Nhat Dang Lung, Emeric Hartman, Tian Sun, Bekir Turedi, Gebhard J. Matt, Stefanie Frick, Sebastian Siol, Taekwang Jang, Ivan Shorubalko, Sergii Yakunin, Maksym V. Kovalenko   +14 more
wiley   +1 more source