Results 51 to 60 of about 200 (197)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Zähmung eines blauen Gases—Struktur und Chemie von Hexafluorthioaceton

Angewandte Chemie, EarlyView.
Hexaflouorthioaceton (1), ein blaues Gas bei Raumtemperatur, wurde durch Vakuumpyrolyse des zyklischen Dimers bei 660 °C synthetisiert. Wir diskutieren grundlegende Eigeschaften des schwer greifbaren 1, einschließlich Einkristallstruktur und Kernmagnetische Resonansspektroskopie, obwohl es eine starke Tendenz zur Dimerisierung selbst bei –74 °C zeigt ...
Hennes Günther, Antti J. Karttunen, Xiulan Xie, Frank Tambornino   +3 more
wiley   +1 more source

Taming a Blue Gas—Structure and Chemistry of Hexafluorothioacetone

Angewandte Chemie International Edition, EarlyView.
Hexafluorothioacetone (1), a blue gas at r.t., was synthesized by flash vacuum pyrolysis of its cyclic dimer at 660°C. We discuss fundamental properties of elusive 1, including single‐crystal structure and nuclear magnetic resonance spectroscopy, despite its tendency to dimerize even at –74°C.
Hennes Günther, Antti J. Karttunen, Xiulan Xie, Frank Tambornino   +3 more
wiley   +1 more source

Catalytic Pyrolysis of Waste Polystyrene Over Fe–B Composite Catalyst for Enhanced Liquid Fuel Production

Asia-Pacific Journal of Chemical Engineering, EarlyView.
ABSTRACT Healthcare derived polystyrene waste represents a growing and under addressed fraction of plastic waste streams due to contamination risks and limited recyclability. This study aims to investigate the valorization of waste polystyrene foam through catalytic and noncatalytic pyrolysis pathways to evaluate product yield distribution and identify
Salman Khan, Zahid Hussain, Bilal Ahmad, Naveed Ahmad, Shohreh Azizi   +4 more
wiley   +1 more source

In Situ Generation of a Robust Gel Polymer Electrolyte From a Poly(Ethylene Carbonate)‐Hydrogenated Nitrile Butadiene Rubber Containing Thermoplastic Vulcanizate Electrolyte

Journal of Applied Polymer Science, EarlyView.
A gel polymer electrolyte thermoplastic vulcanizate (GPE–TPV) was prepared by blending HNBR and PEC by melt extrusion then thermally decomposing PEC to yield liquid EC. EC is absorbed into the crosslinked HNBR, yielding an electrolyte that is mechanically and electrochemically stable enough to permit cycling in a LiFePO4–Li half‐cell.
Rozita Sadeghzadeh, Gabrielle Foran, Julien Mimeault, Caroline St‐Antoine, Arnaud Prébé, Mickael Dollé   +5 more
wiley   +1 more source

Glyoxylic‐Acetal‐Based Gel‐Polymer Electrolytes for Lithium‐Ion Batteries

Batteries &Supercaps, Volume 8, Issue 3, March 2025.
A safe electrolyte based on tetraethoxyglyoxal (LE) is combined with a methacrylate polymer matrix. The resulting gel‐polymer electrolyte (GPE) exhibits an increased flash point, suitable ionic conductivity, and a stable performance in lithium‐ion battery cells.
Christian Leibing, Simon Muench, Juan Luis Gómez Urbano, Ulrich S. Schubert, Andrea Balducci   +4 more
wiley   +1 more source

Cluster Analysis of Circular Economy and Industrial Symbiosis Practices and Their Impact on Sustainability Performance in the Plastics Industry

Business Strategy and the Environment, EarlyView.
ABSTRACT This study examines how plastics manufacturing firms can be classified according to their level of implementation of circular economy (CE) and industrial symbiosis (IS) practices and how such adoption influences sustainability performance. Using data from plastics manufacturing firms, we integrate cluster analysis with partial least squares ...
Laura Cristina Ramírez‐Rodríguez, Rafael Mora‐Contreras, Carmen Jaca, Marta Ormazabal   +3 more
wiley   +1 more source

Infinite Functional Versatility, Formidable Limits: Evaluating Gallium‐Based Liquid Metals in Rechargeable Batteries

Carbon Energy, EarlyView.
Beyond the hype surrounding the self‐healing properties of gallium‐based liquid metals (Ga‐LMs), this perspective critically examines their functional roles in metal‐ion batteries, highlighting both their underlying merits and the often‐overlooked challenges, including non‐representative design and testing configurations, performance overestimations ...
Turly P. P. Sumanasekara, Petar Jovanović, Ali Zavabeti, Dan Yang, Mainak Majumder, Anthony F. Hollenkamp, Torben Daeneke, Mahdokht Shaibani   +7 more
wiley   +1 more source

ALD Derived Li2O Layer Stabilizing Solid Electrolyte Interphase of Silicon/Carbon Anodes for Lithium Storage

Carbon Energy, EarlyView.
A durable solid electrolyte interphase (SEI) is essential for mitigating the mechanical fracture and interfacial instability of silicon anodes under strong electrochemical‐mechanical coupling. Herein, a uniform Li2O layer was accurately deposited on the Si/C composites to regulate the growth characteristics of SEI.
Ming Li, He Xu, Qinting Jiang, Yuhui Xu, Jingjing Wang, Mengxin Bai, Bo Sun, Xuan Yang, Xiaoli Yang, Xuexia Song, Ruixian Duan, Guiqiang Cao, Jiaxuan Zuo, Haoqi Li, Wenyu Liu, Zheng Wang, Wenbin Li, Xifei Li   +17 more
wiley   +1 more source

Strain Release of 1‐Azabicyclo[1.1.0]butanes as a Gateway to Highly Functionalized Azetidines: New Strategies and Structural Motifs

Chemistry – A European Journal, EarlyView.
Over the past decade, the interest in azetidines has continuously risen, by virtue of their highly appealing pharmaceutical properties. Monocyclic, spirocyclic, and bridged azetidines can be accessed by leveraging 1‐azabicyclo[1.1.0]butanes as precursors.
Yuri Gelato, Philipp Natho, Marco Colella, Renzo Luisi   +3 more
wiley   +1 more source