Results 211 to 220 of about 4,357,340 (293)

Solid–liquid equilibria in the LiOH–ethanol–water system: Solubility measurements and thermodynamic modeling

AIChE Journal, EarlyView.
Abstract The demand for LiOH is driven by the growth of the electric vehicle industry. Evaporative crystallization of LiOH·H2O is energy intensive, whereas ethanol‐based antisolvent crystallization has emerged as a more sustainable alternative. From a process design perspective, the crystallization yield depends on the ethanol dosage, and thermodynamic
Xiaoqi Xu, Chentao He, Janet A. W. Elliott, Liuyin Xia   +3 more
wiley   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

Advanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi, Yu Kumagai, Arata Takamatsu, Fumiyasu Oba   +3 more
wiley   +1 more source

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

Advanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang, Abudukadi Tudi, Ran An, Zhihua Yang   +3 more
wiley   +1 more source

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

Advanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal, Weiyi Gong, Huta Banjade, Qimin Yan   +3 more
wiley   +1 more source

Dielectric Elastomer Actuators as Safe and Effective Tools for Mechanostimulation of Human Cells

Advanced Intelligent Systems, EarlyView.
Replicating physiological forces is crucial for realistic cell models. Dielectric elastomer actuators (DEAs) offer a soft alternative, though their high voltages raised toxicity concerns. We demonstrate that DEA stimulation causes no cell damage, cell death or cell‐cycle disruption, while activating mechanosensitive responses.
Simon Holzer, Chaimae Bahou, Noe Syfrig, Katia Monastyrskaya, Yoan Civet, Ali Hashemi Gheinani, Yves Perriard   +6 more
wiley   +1 more source

Mitigating Stress‐Induced Nonphotoactive Phase Transition Through Sodium Sulfonate Engineering for Stable and Efficient Perovskite Solar Cells

Angewandte Chemie, EarlyView.
To address the phase stability issue of α‐FAPbI3, we employed a cation doping strategy using 1‐decanesulfonate (C10H21NaO3S). This doping releases lattice strain and suppresses the formation of the δ‐phase, enabling breakthrough performance in perovskite solar cells with a power conversion efficiency of 26.67% and excellent thermal and photostability ...
Zhihuan Tang, Mingzi Sun, Jinghao Ge, Ying Wang, Yunfan Wang, Yiran Tao, Lu Zhang, Xinhui Lu, Sai‐Wing Tsang, Weizhong Tian, Rui Wang, Hao‐Chung Kuo, Bolong Huang, Shengzhong (Frank) Liu, Jiaxue You, Alex K. Y. Jen   +15 more
wiley   +1 more source

Modulating Local Coordination in Single‐Atom Catalysts: From Fundamental Concepts to Emerging Breakthroughs in Electrocatalysis

Angewandte Chemie, EarlyView.
This review summarizes atomic‐level design strategies for single‐atom catalysts, emphasizing modulation of the local coordination environment, active‐site geometry, and metal‐support interactions to optimize catalytic activity and stability in electrocatalytic energy conversion applications.
Ashwani Kumar, Harun Tüysüz
wiley   +1 more source

Strain‐Release Pentafluorosulfanylation of Carbonyl‐Containing Disubstituted Bicyclobutanes: A Fortuitous Path to SF5‐Containing Oxa[2.1.1]bicyclohexanes

Angewandte Chemie, EarlyView.
A regio‐ and diastereoselective method for strain‐release pentafluorosulfanylation of carbonyl‐containing 1,3‐disubstituted [1.1.0]bicyclobutanes (BCBs) was developed that led to several fortuitous discoveries. For instance, the resultant SF5‐cyclobutanes (SF5‐CBs) exhibit close SF5⋯C═X contacts (X = C, N, O) and provide synthetic access to a new class
Alexander M. Stephens, Jake Anthony Olvera, Yannick Kraemer, Tyson Vu, Wang‐Yeuk Kong, Sudiksha Chaturvedi, Jeffrey M. Wang, Lauren M. Holder, Dean J. Tantillo, Cody Ross Pitts   +9 more
wiley   +1 more source

Defect‐Rich CoNi Prussian Blue Analogues Enable Highly Selective Electrochemical Hydrogen Peroxide Production

Angewandte Chemie, EarlyView.
Introducing [Co(CN)6]3− defects into CoNi Prussian Blue analogues exposes square‐planar Ni–N4 active sites, leading to remarkable H2O2 selectivity during the electrochemical oxygen reduction reaction in alkaline media. ABSTRACT Decentralized electrosynthesis of hydrogen peroxide (H2O2) via the two‐electron oxygen reduction reaction (2e− ORR) offers a ...
Kai Sun, Yu Mao, Yongfang Zhou, Ziyun Wang, Geoffrey I. N. Waterhouse   +4 more
wiley   +1 more source

Batch-fabrication of all-dielectric vapor cells enabling optically addressed Rydberg atom electrometry. [PDF]

Microsyst Nanoeng
Artusio-Glimpse AB, Meraki A, Shillingburg H, Lavallee G, Liu M, Eichfeld C, Prajapat N, Simons MT, Holland G, Holloway CL, Aksyuk VA, Lopez D.   +11 more
europepmc   +1 more source