Results 141 to 150 of about 11,181,629 (286)

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source

Defect‐Rich CoNi Prussian Blue Analogues Enable Highly Selective Electrochemical Hydrogen Peroxide Production

Angewandte Chemie, EarlyView.
Introducing [Co(CN)6]3− defects into CoNi Prussian Blue analogues exposes square‐planar Ni–N4 active sites, leading to remarkable H2O2 selectivity during the electrochemical oxygen reduction reaction in alkaline media. ABSTRACT Decentralized electrosynthesis of hydrogen peroxide (H2O2) via the two‐electron oxygen reduction reaction (2e− ORR) offers a ...
Kai Sun, Yu Mao, Yongfang Zhou, Ziyun Wang, Geoffrey I. N. Waterhouse   +4 more
wiley   +2 more sources

Hydration Behavior of Tricalcium Silicate in Seawater Relevant Salt Systems: A Hybrid Study with the Aid of Machine Learning

Advanced Intelligent Discovery, EarlyView.
The hydration behavior of C3S in seawater‐relevant solutions is studied based on experiments, boundary nucleation and growth (BNG) modeling, and machine learning. The main ions included in seawater modify hydration mechanisms, with MgCl2 showing the strongest acceleration effect at the same concentration.
Yanjie Sun, Chen Zhang, Ting Zhang, Mengze Hong, Peiliang Shen, Chi Sun Poon, Gang Li   +6 more
wiley   +1 more source

Short Sb···Sb Contacts in Polymorphic Tris(p‐Tolyl)Antimony: A Hallmark of Organoantimony(III) Solid‐State Chemistry?

Angewandte Chemie, EarlyView.
Discovery of polymorphism in solid tris(p‐tolyl)antimony(III) highlighted short, direct antimony‐antimony contacts, with interatomic separation shorter than the sum of the van der Waals radii, and calculated interaction energy of ca. 26 kJ mol−1 that includes a significant dispersion component.
Imogen Suh, Michael Ferguson, Filip Topić, Fu‐Qiang Gong, Mihails Arhangelskis, Hatem M. Titi, D. Scott Bohle, Vinko Nemec, Levente Kiss, Andrew J. Morris, Cristian Silvestru, Dominik Cinčić, Tomislav Friščić   +12 more
wiley   +2 more sources

PETROGRAPHY AND APPLICATION OF THE RIETVELD METHOD TO THE QUANTITATIVE ANALYSIS OF PHASES OF NATURAL CLINKER GENERATED BY COAL SPONTANEOUS COMBUSTION

Earth Sciences Research Journal, 2010
<p align="left">Fine-grained and mainly reddish color, compact and slightly breccious and vesicular pyrometamorphic rocks (natural clinker) are associated to the spontaneous combustion of coal seams of the Cerrejón Formation exploited by Carbones ...
Pinilla A. Jesús Andelfo, Ramos G Miguel A., Ríos R Carlos Alberto, Candela H Sol Ángel, Quintero D John Alexander, Henao M José Antonio, Carreño Angélica María   +6 more
doaj  

Rietveld refinement applied to a Ni2Ti1.68Hf0.32 mol alloy

1st Latin American Powder Diffraction Conference (LAPDiC) - October 13-14 in Fortaleza, Brazil (2025). Authors: Roniere Leite Soares e Walman Benício de Castro (ABSTRACT) Keywords: Rietveld refinement; X'Pert HighScore Plus; Ni-Ti-Hf; Ternary alloy ...
Roniere Leite Soares
core   +1 more source

Prediction‐Guided Two‐Step Solid‐State Exploration of Unknown Pseudo‐Ternary Oxides

Advanced Intelligent Discovery, EarlyView.
Prediction‐guided selection combined with two‐step solid‐state exploration enables efficient search of unknown pseudo‐ternary oxides. Broad robotic slurry screening followed by manual single‐phase isolation leads to the discovery of a new oxide, Ba5SnV6O22, showing how data‐guided experiments connect unexplored composition regions to new materials ...
Hiroyuki Hayashi
wiley   +1 more source

Acceptor‐Doped Cerium Oxides Enabling Metallic Nanocatalyst Exsolution for Hydrogen Production From Ammonia

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, Elena Barrio‐Querol, Álvaro Represa, Jesús Ara, Ana B. Hungría, David Catalán‐Martínez, Alfonso J. Carrillo, Sonia Escolástico, José Manuel Serra   +8 more
wiley   +2 more sources

Epitaxial Oxide Interfaces Create Poison‐Resistant CuO Sites for Environmental Catalysis

Angewandte Chemie, EarlyView.
An epitaxially stabilized CuO overlayer on Ti1−xInxO2 creates electron‐poor, high‐symmetry Cu–O sites that activate interfacial lattice‐oxygen redox. This interface promotes NOx reduction through an Eley–Rideal pathway, diverts sulfate formation, and sustains CH3SH deep oxidation via a Mars–van Krevelen cycle, offering a route to poison‐resistant ...
Lupeng Han, Yanqing Li, Yongjie Shen, Huijun Yu, Evangelina Pensa, Xuehui Yang, Yanqi Chen, Xiaonan Hu, Xiyang Wang, Song Li, Gaowu Qin, Wenqiang Qu, Ming Xie, Emiliano Cortés, Dengsong Zhang   +14 more
wiley   +2 more sources

Anchored Oxygen‐Release‐Suppression Phase Stabilizing High‐Voltage Ni‐Rich Cathode Materials

Angewandte Chemie, EarlyView.
A one‐step dual‐structure strategy was proposed to synthesize LiNi0.9Co0.05Mn0.05O2 (DA‐NCM) material, which is rich in oxygen vacancies and coated with a perovskite‐type La4LiNiO8 layer stabilized by La─O anchoring provided by La2Mo2O9. This strategy effectively suppressed structural degradation and oxygen release, thereby achieving stable high ...
Ziqi Liu, Yiming Zhang, Yong Chen, Meng Yao, Yangyang Wang, Du Yuan, Haitao Zhang, Yun Zhang, Guoxiu Wang   +8 more
wiley   +2 more sources