Results 111 to 120 of about 10,228 (253)

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

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

Advanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong, Lejia Wang, Tianqing Zhu, Keith Butler, Sichao Li   +4 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

The Manifestation of the Electrochemical Potential Gradient in the Kinetic Landscapes of Interfacial Electrochemistry

Angewandte Chemie International Edition, EarlyView.
The overpotential constitutes an electrochemical potential difference at the solid–liquid interface, which can manifest itself in different ways. In general, it can not only drive the reaction along the reaction coordinate, but also modulate chemical potentials in the extended environment that shape activation barriers, without necessarily being a ...
Sebastian Z. Oener, Caroline J. Aschendorf, Jody Druce, Francisco Sarabia, Carlos Gomez Rodellar, Mathieu Lizée, Alex Ricardo Silva Olaya, Soumyadip Mondal, Raquel Anastacio Amaral, Hađer Sinanović, Beatriz Roldan Cuenya   +10 more
wiley   +1 more source

Physical Properties of Transition Metal Hydride Superconductors Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) by First‐Principles Calculations

Advanced Physics Research, EarlyView.
The electronic band structure determines all the charge transport properties of crystalline solids. It also controls the optical response of the material. Bonding characters are strongly influenced by the band structure. The band structures of Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) compounds shown above confirm their metallic nature.
Md Ashraful Alam, Md Abdul Hadi Shah, F. Parvin, S. H. Naqib   +3 more
wiley   +1 more source

X‐Ray Absorption Sensitivity at 5d$5d$ Edges of High‐Valent Light Actinides to Crystal‐Field Strength and Covalency Effects

Chemistry – A European Journal, EarlyView.
Analysis of x‐ray absorption spectra of U(VI) and U(V) oxides indicates an important role of U 5f−O$5f-\rm{O}$ 2p$2p$ charge transfer for increasing the 5f$5f$ occupancy and thereby affecting the ground state properties. ABSTRACT The 5f$5f$ states were probed in ThO2$\rm{ThO}_2$ and U(VI) and U(V) oxides using x‐ray absorption spectroscopy at the ...
Johan R. Vegelius, David K. Shuh, Sergei M. Butorin   +2 more
wiley   +1 more source

Planar Coulomb Gas on a Jordan Arc at Any Temperature

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We study a planar Coulomb gas confined to a sufficiently smooth Jordan arc γ$\gamma$ in the complex plane, at inverse temperature β>0$\beta > 0$. Let Z¯nβ(γ)=Znβ(γ)((2cap(γ))βn2/2e(1−β/2)n(H(νe,γ)−H(νe,I)),$$\begin{equation*} \bar{Z}_{n}^\beta (\gamma)=\frac{Z_n^\beta (\gamma)}{((2\text{cap}(\gamma))^{\beta n^2/2}e^{(1-\beta /2)n(H(\nu _{e ...
K. Courteaut, K. Johansson, F. Viklund
wiley   +1 more source

Advantages of Pulsed Laser Ion Source (LIS) at an Intensity of About 1010 W/cm2 for Heavy‐Ion Injection Into High‐Energy Accelerators

Contributions to Plasma Physics, EarlyView.
ABSTRACT At the Laser Plasma Physics laboratories of the University of Messina, an experimental platform for generating and accelerating low‐energy ions (keV) using pulsed lasers and for their potential applications has been put into operation. A Q‐switched Nd:YAG laser produces the beam for the system, operating at 1064 nm.
L. Torrisi, M. Cutroneo, A. Torrisi
wiley   +1 more source

Modeling and experimental validation of bolt–grout bond–slip behavior for deep underground excavation support

Deep Underground Science and Engineering, EarlyView.
A novel shear‐lag model, validated by pull‐out tests, incorporates a constant bond stress stage to predict the complete load–displacement response of grouted rock bolts, providing a new tool for optimizing anchorage length and material toughness in deep underground engineering. Abstract The stability of rock masses in deep underground excavations, such
Wenhui Bian, Xiaohui He, Kexue Wang, Yufei Wu, Guoxin Wang, Shaochen Zhang, Jun Yang   +6 more
wiley   +1 more source

Analytical stress solution framework for lined compressed air energy storage chambers and its application to safe burial depth determination and supporting effectiveness evaluation

Deep Underground Science and Engineering, EarlyView.
An analytical framework delivers a closed‐form stress solution for lined compressed air energy storage chambers, enabling the determination of the minimum safe burial depth. The solution quantitatively evaluates lining support effectiveness, offering a reliable tool for chamber design and optimization.
Zeyuan Sun, Cheng Zhao, Jinquan Xing, Qinyuan Luo   +3 more
wiley   +1 more source