Results 231 to 240 of about 3,666,239 (294)

Decoupling Quasi‐Solid‐State Sulfur Conversion Mechanisms in Weakly Solvating and Locally High Concentration Electrolytes

Advanced Energy Materials, EarlyView.
Weakly solvating CME–TTE and localized high‐concentration G2–TTE electrolytes redirect lithium–sulfur chemistry toward quasi‐solid‐state conversion through distinct coordination environments. Molecular dynamics and multimodal electrochemical and spectroscopic measurements show that G2–TTE couples multidentate solvent coordination, anion participation ...
Boyi Pang, Huanxin Li, Liam Bird, Yiming Guo, Bochen Li, Xiaoxia Guo, Roby Soni, Yi Zeng, Paul R. Shearing, Thomas S. Miller, Rhodri Jervis, Alexander J. Kibler, James B. Robinson   +12 more
wiley   +1 more source

Machine learning–driven design of catalytic processes for sulfur dioxide oxidation: Lessons from the trenches

AIChE Journal, EarlyView.
Abstract Despite the growing use of ML in chemical engineering, the catalytic conversion of sulfur dioxide (SO2) to sulfur trioxide (SO3) remains underexplored from a data‐driven modeling perspective. This study evaluates an integrated workflow for literature‐derived SO2 oxidation data, combining data curation, preprocessing assessment, machine ...
Farough Agin, Jules Thibault, Clémence Fauteux‐Lefebvre   +2 more
wiley   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

Advanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica, Kostya S. Novoselov, Seongmin Kim, Yousung Jung, Silvana Botti, Miguel A. L. Marques, Tigany Zarrouk, Miguel A. Caro, Sanggyu Chong, Michele Ceriotti, Marivi Fernandez‐Serra, Sara Navarro‐Rodriguez, Aakash Ashok Naik, Janine George, Ömer Hasan Omar, Victor Trinquet, Gian‐Marco Rignanese, Andrey Ustyuzhanin, Sonia Conesa‐Boj, Juan Rojo, Minh‐Tuan Dau, Simon M.‐M. Dubois, Jean‐Christophe Charlier, Jose H. Garcia, Romain Gautier, Rachid Laref, Junfeng Qiao, Giovanni Pizzi, Nicola Marzari, Camilla Coletti, Antonio Rossi, Jan‐Lucas Uslu, Chiara Zanardi, Vincenzo Palermo, Wide Hogenhout, Natalia Konchakova, Peter Klein, Tejs Vegge, Stephan Roche   +38 more
wiley   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Ultrathin Membrane With Ion‐Specific Gating Enables Interfacial Decoupling of Conductivity–Selectivity for Aqueous Flow Batteries

Angewandte Chemie, EarlyView.
An interfacial ion‐specific gating strategy shifts membrane design from ion diffusion within ion‐exchange channels to ion partitioning at the membrane–electrolyte interface, thereby decoupling selectivity from conductivity. The strategy underscores the pivotal yet underexplored role of the membrane–electrolyte interface, providing a broadly applicable ...
Di Mu, Yu Xiong, Feiran Wang, Jiafeng Lei, Fei Ai, Jun Fan, Yi‐Chun Lu   +6 more
wiley   +1 more source

Boosting Charge Storage in Ferri/Ferrocyanide‐Based Alkaline Redox Flow Batteries

Angewandte Chemie, EarlyView.
By modifying the solvation environment, cation engineering through Li+ substitution of traditional K+ or Na+ boosts the alkaline solubility of the ferri/ferrocyanide catholyte redox couple, providing a viable pathway to overcome the long‐standing challenge of energy density limitations for aqueous redox flow batteries (RBFs).
Mahla Sarfaraz Khabbaz, Kuldeepsinh Raj, Lucas Zhang, Sepideh Biabanialitappeh, J. David Bazak, Nav Nidhi Rajput, Xiaoliang Wei   +6 more
wiley   +1 more source

Nanostructured Fe₂O₃/Cu _x O heterojunction for enhanced solar redox flow battery performance.

J Mater Chem A Mater
Ma J, Sabzehparvar M, Pan Z, Tagliabue G.   +3 more
europepmc   +1 more source

Stabilizing Zinc Anodes via a Zeolite‐Induced Localized Supersaturated Electrolyte Interface

Angewandte Chemie, EarlyView.
A low‐Si/Al‐ratio ZSM‐5 (LZ5) interphase induces a localized supersaturated electrolyte interface on Zn, with a local Zn2+ concentration exceeding 10 M in a 1 M ZnSO4 bulk electrolyte. Continuous Zn2+ enrichment within the zeolite nanochannels creates an H2O‐deficient, anion‐enriched solvation environment, promoting rapid desolvation, uniform ...
Xiaoqi Liu, Yipu Xu, Linjiao Wei, Hongman Sun, Zhengxing Qin, Xizhi Zhang, Dahai Zhang, Xianguo Li, Han Hu, Wei Xing, Yu Zhang, Bin Luo, Zifeng Yan   +12 more
wiley   +1 more source

An optimal strategy of electrolyte flow rate for vanadium redox flow battery

Journal of Power Sources, 2012
Electrolyte flow rate is a key factor that affects the performance of vanadium redox flow battery (VRFB). A kilo-watt class VRFB system is fabricated to investigate the effects of electrolyte flow rate on the performance of VRFB.
Huamin Zhang
exaly   +2 more sources