Results 131 to 140 of about 31,813 (297)

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Machine Learning‐Assisted KCl‐CaCl2‐LiCl Electrolyte Design for Low‐Temperature, High‐Performance Calcium‐Based Liquid Metal Batteries

Advanced Science, EarlyView.
A machine learning‐assisted framework optimizes the KCl‐CaCl2‐LiCl ternary electrolyte. The optimized 13:35:52 mol% composition enables Ca‐based liquid metal batteries to operate stably at 480 °C, with >99.5% coulombic efficiency, ultralow self‐discharge, and excellent cycling stability, advancing low‐temperature large‐scale energy storage.
Xinglin Zhou, Lei Huang, Yan Zhou, Xiaohui Ning   +3 more
wiley   +1 more source

Exploiting sulfonated covalent organic frameworks to fabricate long-lasting stability and chlorine-resistant thin-film nanocomposite nanofiltration membrane

npj Clean Water
Incorporating hydrophilic and charged porous nanofillers to prepare high-performance thin film nanocomposite (TFN) nanofiltration (NF) membranes is an effective method to achieve efficient water treatment.
Wenqiao Meng, Qiang Xue, Jinyuan Zhu, Kaisong Zhang   +3 more
doaj   +1 more source

group electronegativity

, 2014
Citation: 'group electronegativity' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.G02706 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Targeted Multifunctional Fluorine‐Rich Copolymer Coating Design for Ambient‐Stable Prelithiated SiOC Anodes

Advanced Science, EarlyView.
A fluorine‐rich acrylate copolymer, poly (tridecafluorooctyl methacrylate‐co‐methyl methacrylate) (PFMMA), is introduced as a multifunctional protective coating to stabilize the prelithiated SiOC electrodes in humid conditions and preserve unimpeded interfacial ion/charge transport during redox reactions.
Rong Chen, Yixuan Fan, Congcong Zhang, Yinan Liu, Yun Zheng, Ruifeng Zheng, Yingying Shen, Pingshan Jia, Luojiang Zhang, Yongbing Tang, Huaiyu Shao   +10 more
wiley   +1 more source

Downshift of d-states and the decomposition of silver halides

Matter and Radiation at Extremes
The ionicity of ionic solids is typically characterized by the electronegativity of the constituent ions. Electronegativity measures the ability of electron transfer between atoms and is commonly considered under ambient conditions.
Yanlei Geng, Jianfu Li, Zhaobin Zhang, Yang Lv, Mengxin Lu, Mengyuan Zhu, Yong Liu, Jianan Yuan, Qingyang Hu, Xiaoli Wang   +9 more
doaj   +1 more source

An electronegativity-induced spin repulsion effect

We present a spin delocalization effect in radical Si-containing systems, featuring a heteroatom of high electronegativity (such as N, O, or Cl) bonded to the unsaturated Si atom.
Stirling, A., Pasquarello, Alfredo
core   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Interfacial Engineering of Iodine‐Polymer‐Carbon Hybrid Cathodes for High‐Energy Zn//I2 Microbatteries

Advanced Science, EarlyView.
A cathode‐confined iodine strategy employing a synergistic polyaniline/activated‐carbon hybrid enables highly reversible halogen redox chemistry in coplanar Zn//I2 microbatteries. Enhanced iodine utilization, suppressed iodine dissolution, and accelerated charge‐transfer kinetics deliver durable, safe, and integrable microscale energy‐storage devices ...
Yujia Fan, Sanat Nalini Paltasingh, Nibagani Naresh, Ruixiang Li, Kewei Chen, Monojit Mondal, Iman Pinnock, Xiaopeng Liu, Mingqing Wang, Saroj Kumar Nayak, Buddha Deka Boruah   +10 more
wiley   +1 more source