Results 51 to 60 of about 1,420 (210)
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 +19 more
wiley +1 more source
Advanced Energy Materials, EarlyView.This article provides a comprehensive analysis of transition metal phosphides (TMP) as electrocatalysts for urea‐assisted water electrolysis, highlighting the critical role of phosphorus engineering in modulating electronic structure, optimizing active sites, and enhancing catalytic durability.
Shivalingayya Gaddimath +8 more
wiley +1 more source
Angewandte Chemie, EarlyView.Trace Mg doping into gallia–alumina generates hole‐type oxygen species that accelerate hydrogen recombination, eliminating the need for Pt promotion. The fully oxide‐based catalyst resists sintering under repeated regeneration, outperforming benchmark PtSn and CrOx catalysts with exceptional stability over 30 dehydrogenation–regeneration cycles ...
DongHwan Oh +8 more
wiley +2 more sources
Design Principles of Electrocatalysts for Industrial‐Scale Water Electrolysis
Advanced Energy Materials, EarlyView.This Review distills electrocatalyst design for industrial‐scale water electrolysis into integrated principles linking active‐site engineering, phase and lattice modulation, interfacial microenvironment regulation and mass‐transport control. By connecting catalyst families with HER/OER mechanisms and practical operating demands, it outlines pathways ...
Hong Tang, Cui Ce, John Wang
wiley +1 more source
Angewandte Chemie, EarlyView.Despite its promise for producing metastable materials, the mechanisms underlying solid‐state microwave synthesis remain poorly understood. By combining in situ thermography with x‐ray diffraction and solid‐state NMR, this study uncovers a surprising order–disorder–order reaction pathway during the microwave synthesis of the Li1.1Mn0.9O1.9F0.1${\rm Li ...
Erick A. Lawrence +8 more
wiley +2 more sources
Breaking the Polarity–Coordination Coupling in Electrolyte Design for High‐Voltage Lithium Batteries
Advanced Energy Materials, EarlyView.Steric and electronic co‐regulation of 2,2,2‐trifluoro‐N, N‐dimethylethylamide (DMTFA) decouples high polarity from strong Li+ coordination, creating an anion‐mediated pseudo‐weakly solvating electrolyte. This design lowers Li+ desolvation barriers, enhances Li+ mobility, and builds B‐, F‐, and N‐rich inorganic interphases, enabling stable 3.0–4.6 V ...
Xue Li +9 more
wiley +1 more source
Angewandte Chemie, EarlyView.Outstanding catalytic results for NH3 decomposition for H2 production were obtained with metallic Ru, Rh, and RuRh nanoparticle‐exsolved CeO2‐based catalysts. Significant lower amounts of available superficial metallic fractions were needed in comparison to conventional Ru‐impregnated materials.
Andrés López‐García +8 more
wiley +2 more sources
Advanced Energy Materials, EarlyView.As demand for Li‐ion batteries grows, Mn‐rich disordered rocksalt (DRX) oxides offer a sustainable, low‐cost alternative to scarce Ni and Co. During cycling, Mn‐rich DRX materials transform into a partial spinel‐like phase (𝛿) that improves rate capability and capacity.
Han‐Ming Hau +12 more
wiley +1 more source
Angewandte Chemie, EarlyView.In this work, we establish a direct correlation between internal compactness and particle architectural stability, identifying it as a key descriptor of cathode structural integrity. Simultaneously, the capacity contribution and compensation mechanism of ARR are resolved, revealing that the extent of irreversible capacity loss is governed by both the ...
Yizhen Huang +24 more
wiley +2 more sources
AIChE Journal, EarlyView.Abstract Chemical‐looping gasification (CLG) offers a promising route for renewable biomass valorization, yet conventional oxygen carrier regeneration with O₂/H₂O is energy‐intensive and often produces low‐quality syngas. Here, we develop an inverse ZrO2/Co3O4 oxygen carrier that enables selective biochar oxidation and efficient lattice‐oxygen transfer
Junling Gao +9 more
wiley +1 more source