Results 171 to 180 of about 137,793 (228)

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

Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories

Advanced Energy Materials, EarlyView.
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen, Zheyu Zhang, Kelvian T. Mularso, Bonghyun Jo, Hyun Suk Jung   +4 more
wiley   +1 more source

Quantum Machine Learning

, 2016
[EN] In a world in which accessible information grows exponentially, the selection of the appropriate information turns out to be an extremely relevant problem. In this context, the idea of Machine Learning (ML), a subfield of Artificial Intelligence, emerged to face problems in data mining, pattern recognition, automatic prediction, among others ...
openaire   +1 more source

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

Advanced Energy Materials, EarlyView.
This review will delve into the inherent connections and distinctions of CO2‐directed conversion in ECO2RR and CO2 batteries, in terms of product types, catalyst selection, catalytic mechanisms, and electrochemical performances, while proposing a benchmarking framework for the evaluation of CO2 batteries and innovative CO2 battery configurations for ...
Changfan Xu, Huaping Zhao, Lizhuang Chen, Weidong Shi, Guosheng Shao, Yong Lei   +5 more
wiley   +1 more source

Engineering Trace‐Amount Electrolyte Additives for Aqueous Zinc Batteries

Advanced Energy Materials, EarlyView.
Large‐amount additives primarily modify the bulk electrolyte by coordinating with Zn2+ or reshaping the hydrogen‐bond network, thereby altering the overall solution chemistry. In contrast, trace‐amount additives mainly operate at the electrode–electrolyte interface, regulating Zn deposition through electric double‐layer modulation, interfacial ...
Zhaoxin Li, Jinhua Guo, Longjun Chang, Zhenyu Jiang, Shuchang Liu, Chao Wang, Qi Liu, Baohua Li, Zhiqiang Niu, Qing Li   +9 more
wiley   +1 more source

Beyond Descriptor‐Based AI Design: Sp2‐Hybridized Branched Side Chains Enable Pre‐Aggregation–Driven Seeding Effects in Green‐Solvent‐Processed Organic Solar Cells

Advanced Energy Materials, EarlyView.
sp2‐hybridized branched side chains are introduced as a new molecular design for NFAs, YBOV, inducing strong solution‐state pre‐aggregation. This pre‐aggregation enables universal seeding motifs, highly ordered film growth, and overcoming the intrinsic current–voltage trade‐off, achieving 19.67% efficiency via green‐solvent processing beyond descriptor‐
Seokhwan Jeong, Donghoo Won, Zhe Sun, Chihyung Lee, Jaewook Kim, Seunglok Lee, Sangjin Yang, Jieun Kim, Keonho Yoon, Dong Young Kim, Yongjoon Cho, Seung‐Jae Shin, Hee‐Seung Lee, Doo‐Hyun Ko, Changduk Yang   +14 more
wiley   +1 more source

Atomistic Insights Into Lithium Alloying and Crystallization at Metal Interlayers in Zero‐Excess Lithium Batteries

Advanced Energy Materials, EarlyView.
Molecular dynamics simulations with machine learning potentials, combined with experiments, reveal how interlayer metals govern Li alloying and crystallization in zero‐excess lithium batteries. Mg and Zn promote solid‐solution alloy‐mediated pathways that influence Li diffusion and structural uniformity, while Bi forms ordered intermetallics with more ...
Neubi F. Xavier Jr., Nicolas Rospars, Mohammed Srout, Matthew K. Sharpe, Pablo Hernández‐Martín, Callum D. McAleese, Satheesh Krishnamurthy, Tao Chen, Celia Polop, Andrea Ingenito, Qiong Cai   +10 more
wiley   +1 more source

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

Challenges and enablers in fluidization technology

AIChE Journal, EarlyView.
Abstract Gas–solid fluidized beds provide excellent heat and mass transfer for high‐throughput operations from coating to catalytic conversion and underpin emerging low‐carbon technologies. Yet industrial reliability, scale‐up, and control lag scientific understanding, particularly as finer, stickier, and more variable feedstocks increasingly challenge
J. Ruud van Ommen, Jia Wei Chew
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source