Results 171 to 180 of about 55,242 (253)

Deciphering Intricacies in Directional CO2 Conversion From Electrolysis to CO2 Batteries

open access: yesAdvanced 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   +5 more
wiley   +1 more source

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

open access: yesAdvanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci   +3 more
wiley   +1 more source

A Compact Hollow Fiber Electrode Assembly Architecture for Continuous Electrochemical Marine Carbon Dioxide Removal

open access: yesAdvanced Energy Materials, EarlyView.
A coaxial, membrane‐integrated hollow fiber electrode assembly (HFEA) is developed for continuous marine carbon mineralization. By utilizing a sub‐millimeter inter‐electrode gap, the HFEA minimizes Ohmic losses, achieving 50% energy reduction and over 85% DIC removal.
Inhwan Park   +5 more
wiley   +1 more source

Challenges and enablers in fluidization technology

open access: yesAIChE 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

Solid–liquid equilibria in the LiOH–ethanol–water system: Solubility measurements and thermodynamic modeling

open access: yesAIChE Journal, EarlyView.
Abstract The demand for LiOH is driven by the growth of the electric vehicle industry. Evaporative crystallization of LiOH·H2O is energy intensive, whereas ethanol‐based antisolvent crystallization has emerged as a more sustainable alternative. From a process design perspective, the crystallization yield depends on the ethanol dosage, and thermodynamic
Xiaoqi Xu   +3 more
wiley   +1 more source

Deep Learning–Based Extraction of Promising Material Groups and Common Features from High‐Dimensional Data: A Case of Optical Spectra of Inorganic Crystals

open access: yesAdvanced Intelligent Discovery, EarlyView.
We report a novel interpretation method for deep learning models based on feature extraction and clustering. Applying this method to an atomistic line graph neural network (ALIGNN) model trained on optical absorption spectra of 2,681 inorganic compounds obtained from first‐principles calculations, we successfully identify key factors underlying ...
Akira Takahashi   +3 more
wiley   +1 more source

Inversed Cation Size Effects on Methanol Formations From CO2 Electroreduction by Immobilized Cobalt Phthalocyanine

open access: yesAngewandte Chemie, EarlyView.
Multiscale simulations reveal an inversed cation size effect (Li+ > Na+ > K+ > Cs+) in immobilized cobalt phthalocyanine ‐catalyzed CO2 reduction to methanol. Smaller cations like Li+ effectively stabilize the rate‐limiting proton‐transfer transition state through intimate coordination, whereas their disruption of the local hydrogen‐bond network ...
Ke Ye   +3 more
wiley   +2 more sources

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang   +3 more
wiley   +1 more source

Photocatalytic Lignin Depolymerization and Cross‐Coupling With Alcohols to Produce Unsymmetric Aromatic Diols

open access: yesAngewandte Chemie, EarlyView.
A photocatalytic approach for efficient one‐pot direct lignin depolymerization and subsequent cross‐coupling with alcohols for the production of unsymmetrical aromatic diols has been demonstrated. ABSTRACT Conversion of lignin into chemical products typically involves two separate steps, such as depolymerization and subsequent upgrading of monomers ...
Hongji Li   +7 more
wiley   +2 more sources

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