Results 91 to 100 of about 40,239 (260)

High‐Performance, Air‐Stable and Eco‐Friendly Terpene‐Processed Organic Solar Cells via Solvent‐Composition‐Controlled Film Formation Kinetics

Advanced Functional Materials, EarlyView.
Solvent‐composition‐controlled film formation enables high‐performance (efficiency = 18.66%) and air‐stable terpene‐processed organic solar cells. An optimized eucalyptol/tetralin ratio of 50:50 (v/v) balances molecular solvation and aggregation kinetics, producing favorable nanoscale phase separation and vertical composition gradients.
Hyerin Jeon, Seungho Lee, Jinseck Kim, Jin‐Woo Lee, Bumjoon J. Kim   +4 more
wiley   +1 more source

Synthesis and pharmacological activity of various organic and inorganic salts of phenyl derivatives of imidazobenzimidazole

Research Results in Pharmacology
Introduction: The creation of new opioid analgesics that are devoid of the main undesirable effects – euphoria, respiratory depression, tolerance – is an important task for the treatment of pain syndrome.
Olga N. Zhukovskaya, Natalya V. Eliseeva, Pavel M. Vassiliev, Gleb V. Pridvorov, Olesya Yu. Grechko, Anatoly S. Morkovnik, Alexander A. Spasov   +6 more
doaj   +1 more source

Paving the Way for Next‐Generation Solid‐State Waste Heat Recovery: A Thermomagnetic Materials and Systems Roadmap

Advanced Functional Materials, EarlyView.
Unlocking thermomagnetic low‐grade waste heat recovery. This perspective provides a comprehensive roadmap for the development of thermomagnetic materials and systems. By addressing key engineering challenges across multiple scales, it bridges the gap between micro‐power IoT devices and large‐scale industrial applications. ABSTRACT Nearly half of global
A. Waske, K. Klinar, S. Fähler, M. Kohl, N. M. Dempsey, F. Albertini, G. A. de Wijs, T. Schrefl, M. Maschek, S. Lionte, C. Megnin, N. van Dijk, A. Kitanovski, E. Brück   +13 more
wiley   +1 more source

Computer quantum-chemical simulation of the interaction of calcium carbonate with biopolymers

Современная наука и инновации
As part of this work, computer quantum chemical modeling of the interaction of calcium carbonate with biopolymers (chitosan, hydroxyethylcellulose, hyaluronic acid) was carried out.
M. A. Pirogov, A. V. Blinov, I. M. Shevchenko, M. A. Yasnaya, A. A. Gvozdenko, A. B. Golik, Z. A. Rehman   +6 more
doaj   +1 more source

Quantum Chemical Modelling for Predicting Mutagenicity

, 2021
Mutagenicity of various compounds is traditionally predicted by conventional in vivo and in vitro methods. However, transitioning to in silico methods would be beneficial both ethically and environmentally. The descriptors that can be used to predict mutagenicity are the lowest unoccupied molecular orbital (LUMO) energy, activation energy, the local ...
openaire   +1 more source

Ligand Assisted Epitaxial Growth of CsPbBr3 Microcrystal Resonators With Record ‐Low Lasing Thresholds

Advanced Functional Materials, EarlyView.
Solution‐based ligand‐assisted epitaxial growth (LAEG) yields high‐quality CsPbBr3 microcrystals on different substrates with superior morphology, passivated surfaces, and high photoluminescence quantum yield. These robust micro‐resonators achieve record‐low room‐temperature lasing thresholds of 7.2 kW·cm−2 and maintain operational stability up to 90 ...
Shuyu Zhou, Viktor Rehm, Zijian Peng, Tomáš Hrbek, Anastasia Barabash, Christoph J. Brabec, Berke Özyalin, Yufei Han, Johannes Böhmer, Johannes Will, Erdmann Spiecker, Klaus Götz, Tobias Unruh, Jędrzej Korczak, Tomasz Story, Felix Hilpert, Olaf Brummel, Jörg Libuda, Iva Matolínová, Wolfgang Heiss   +19 more
wiley   +1 more source

Atomic‐Scale Visualization of Topotactic Resistive Switching in Epitaxial La0.5Sr0.5CoOx Neuromorphic Memristors

Advanced Functional Materials, EarlyView.
Forming‐free epitaxial Pt/La0.5Sr0.5CoOx (LSCO)/La0.5Sr0.5MnO3 (LSMO) memristors exhibit heterogeneous and partially reversible topotactic switching involving brownmillerite (BM)‐, Grenier (GN)‐like‐, and perovskite (PV)‐like configurations. Atomic‐resolution scanning transmission electron microscopy and in situ transmission electron microscopy resolve
Zi‐Qin Hong, Yen‐Jung Chen, Shih‐Chao Chang, Jui‐yuan Chen, Jan‐Chi Yang, Wen‐Wei Wu   +5 more
wiley   +1 more source

Unified Pressure and Field Response Across Distinct Charge‐Order Regimes in Ti‐Doped CsV3Sb5

Advanced Functional Materials, EarlyView.
We microscopically investigate the interplay between charge order and superconductivity in a kagome superconductor across regimes of long‐ and short‐range charge order. Hydrostatic‐pressure and magnetic‐field μSR$\mu{\rm SR}$ measurements reveal remarkably similar superconducting and normal‐state time‐reversal‐symmetry‐breaking responses in both ...
P. Kral, S.S. Islam, Andrea N. Capa Salinas, J.N. Graham, O. Gerguri, A. Doll, J.A. Krieger, T.J. Hicken, G. Simutis, H. Luetkens, R. Khasanov, S.D. Wilson, Z. Guguchia   +12 more
wiley   +1 more source

Lone‐Pair‐Induced Lattice Distortion in Lead‐Free Hybrid Perovskites for High‐Performance Nanogenerators

Advanced Functional Materials, EarlyView.
A lead‐free tin‐based hybrid perovskite is designed in which stereochemically active lone‐pair electrons on tin distort the crystal lattice and break its symmetry. Blended into a flexible polymer, the material converts pressure into electricity at milliwatt‐scale power density and continues working far below freezing, powering a commercial wristwatch ...
Majid Haji Bagheri, Asif Abdullah Khan, Md Fahim Al Fattah, Mahmoud Almadhoun, Shamaila Shahzadi, Aixi Pan, Md Soyaeb Hasan, Henry Wu, Arash Aghigh, Bhawna Bhawna, François Légaré, Vivek Maheshwari, Dayan Ban   +12 more
wiley   +1 more source

Quantum‐Chemical Modeling of Free‐Radical Polymerization

Macromolecular Theory and Simulations, 2009
AbstractThis article reviews recent progress in the application of quantum chemistry to radical polymerization processes, with a principle focus on establishing the current ‘best‐practice’ methodology for obtaining chemically accurate calculations. The scope and limitations of computational chemistry for this field are also discussed, and some of its ...
openaire   +2 more sources