Results 181 to 190 of about 50,405 (263)

Parametrizing reaction probabilities for proton transfers in protic ionic liquids. [PDF]

Front Chem
Gődény M, Palmisano A, Schröder C.
europepmc   +1 more source

Sulfide‐Based Electrolytes for All‐Solid‐State Sodium Batteries

Advanced Energy Materials, EarlyView.
This review covers the structural features and synthesis strategies of sulfide‐based solid electrolytes, as well as critical challenges related to conductivity, interfacial and moisture stability, and scaling‐up for practical application in Sodium‐based All Solid‐State Batteries.
Han Yang, Luca Weckelmann, Baolin Wu, Chih‐Long Tsai, Luc Raijmakers, Rüdiger‐A. Eichel, Anna Windmüller   +6 more
wiley   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants. [PDF]

J Chem Inf Model
Santos DP, Dias-Silva JR, Júnior LHKQ, de Oliveira HCB.   +3 more
europepmc   +1 more source

Compositional Tuning and Surface Restructuring Synergistically Enhance Perovskite Ferrite Catalysts for Hydrogen Evolution in a Membrane‐Less Electrolyzer

Advanced Energy Materials, EarlyView.
In this work, a self‐restructuring Fe‐based perovskite catalyst is developed, leveraging in situ amorphization to achieve a “self‐improving” behavior for hydrogen evolution. When integrated into a custom‐built membrane‐less electrolyzer, the system demonstrates a record‐breaking 1000 h stability, providing a robust and practical pathway for the ...
Yixin Bi, Yuhao Wang, Zilong Wang, Yufei Song, Nuotong Li, Jingwei Li, Arini Kar, Qing Chen, Francesco Ciucci   +8 more
wiley   +1 more source

Catechinic compounds suppress free radicals in camellia oil by donating hydrogen atoms: quantum chemistry calculation combined with EPR detection. [PDF]

Curr Res Food Sci
Chen Y, Zhu Y, Qin L, Yang X, Long Q, Zhou B, Zhong H.   +6 more
europepmc   +1 more source

Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee, Zachary T. Gossage, Shinichi Kumakura, Shinichi Komaba   +3 more
wiley   +1 more source

Impact of Moisture Exposure on Thermal Stability and Safety of Solid‐State Batteries

Advanced Energy Materials, EarlyView.
Sulfide‐based solid‐state batteries (SSBs) hold significant potential for next‐generation energy storage, yet their practical deployment is hindered by the moisture sensitivity of sulfide solid electrolytes. This study examines how moisture exposure influences thermo‐electrochemical instability at the material and cell‐level, and underscores the ...
Md Toukir Hasan, Alvaro J. Miguel, Bairav S. Vishnugopi, Abhinanda Sengupta, Avijit Karmakar, Gordon H. Waller, Corey T. Love, Partha P. Mukherjee   +7 more
wiley   +1 more source

Molecular-Scale Insights into the Interactions between Perfluoroalkyl Substances and Polyethylene. [PDF]

J Phys Chem B
Thomaz DF, Lima ERA, Vernin NS.
europepmc   +1 more source

CO Spillover‐Induced Directed C─C Coupling for CO2 Electroreduction to Multicarbon Products

Advanced Energy Materials, EarlyView.
Efficient CO2 electroreduction to C2+ is achieved by engineering Cu@Ag interfaces, which enhance interfacial CO spillover from Ag to Cu, enrich *CO coverage, and accelerate C─C coupling. A quantitative relationship between CO spillover rate and C2+ activity is also established, defining spillover as a measurable descriptor and advancing rational ...
Yue Guo, Zhaolong Wang, Huiyan Zeng, Jonathan Kong, Xiaojie She, Xingwang Zhu, Shu Ping Lau   +6 more
wiley   +1 more source