Results 161 to 170 of about 32,880 (250)

Computational and Data‐Driven Strategies for Lignocellulosic Biomass Valorization: From Multiscale Modeling to Digitalized Biorefinery Design

open access: yesAdvanced Science, EarlyView.
This Review critically connects structural recalcitrance, molecular modeling, solvent and catalyst design, pyrolysis, machine learning, reactor simulation, and FAIR digital infrastructure. Emphasis is placed on experimentally validated information transfer across scales, uncertainty and applicability domains, and the recycle, durability, techno ...
Abdullahi Bello Umar   +9 more
wiley   +1 more source

Updatable Closed‐Form Evaluation of Arbitrarily Complex Multiport Network Connections

open access: yesAdvanced Electronic Materials, EarlyView.
The inverse design of electrically large wave devices often uses reduced‐order multiport models with discrete optimization, requiring many evaluations of complex interconnections between subsystems that differ only in a few blocks. This paper introduces a closed‐form framework enabling efficient Woodbury low‐rank updates of related, previous ...
Hugo Prod'homme, Philipp del Hougne
wiley   +1 more source

Ferroionic Electrostatic Landscapes Enabling Wireless Energy Harvesting, Storage, and Sensing

open access: yesAdvanced Electronic Materials, EarlyView.
By integrating experiments and electrostatic field simulations, we show that long‐range wireless coupling in Li‐based ferroionics devices emerges from the cooperative interaction between ionic migration and electronic polarization. This coupling sustains self‐polarized electrostatic fields across centimeter‐scale air gaps without external bias or ...
M. Helena Braga   +7 more
wiley   +1 more source

Advancing Energy Materials by In Situ Atomic Scale Methods

open access: yesAdvanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
Progress in in situ atomic scale methods leads to an improved understanding of new and advanced energy materials, where a local understanding of complex, inhomogeneous systems or interfaces down to the atomic scale and quantum level is required. Topics from photovoltaics, dissipation losses, phase transitions, and chemical energy conversion are ...
Christian Jooss   +21 more
wiley   +1 more source

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

open access: yesAdvanced 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   +6 more
wiley   +1 more source

Assessing Mesoscale Heterogeneities in Hard Carbon Electrodes Through Deep Learning‐Assisted FIB‐SEM Characterization, Manufacturing and Electrochemical Modeling

open access: yesAdvanced Energy Materials, EarlyView.
A combination of discrete and finite element method models for the current collector deformation and electrochemical performance analysis, respectively. The models are calibrated and validated with electrochemical and imaging data of hard carbon electrodes. These electrodes were manufactured with different parameters (slurry solid contents of 35 and 40
Soorya Saravanan   +12 more
wiley   +1 more source

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

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

open access: yesAdvanced 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   +19 more
wiley   +1 more source

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