Results 201 to 210 of about 1,812,757 (349)
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
Advanced Intelligent Discovery, EarlyView.We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
Angewandte Chemie, EarlyView.Cu3P nanoparticles anchored on MXene via Ti─O─P bonds exhibit enhanced stability and resist agglomeration during the electrochemical semi‐hydrogenation of C2H2 to C2H4. Ti3C2/Cu3P achieves a record energy efficiency of 23.0% at 0.2 A cm−2 and stable operation in a 4 cm2 MEA for over 100 h at 1.0 A.
Zeliang Wu +9 more
wiley +2 more sources
Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion
Advanced Intelligent Discovery, EarlyView.This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley +1 more source
(Poly)Borylated Species as Modern Reactive Groups toward Unusual Synthetic Applications
Angewandte Chemie, EarlyView.In this review, we spotlight recent breakthroughs in α‐polyboron‐substituted carbon‐centered intermediates (carbanion, carbocation, radical, and carbene) and polyborylated alkenes. By bridging fundamental reactivity with the application potential of these extraordinary species, we hope this review will serve as a roadmap for harnessing these unique ...
Nadim Eghbarieh +5 more
wiley +2 more sources
Hydrogen recycle and isotope exchange from dense carbon films
, 1987 R.E. Clausing, L. Heatherly
openalex +2 more sources
Hydrogen bonding and vapor pressure isotope effect of ethanethiol [PDF]
, 1979 Jerzy Szydłowski, H. Wolff
openalex +1 more source
Advanced Intelligent Discovery, EarlyView.The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy +8 more
wiley +1 more source
Angewandte Chemie, EarlyView.This study investigates the contribution of proton tautomerism to solid‐state proton conduction and achieves isotropic superprotonic conduction in acid–base single crystals. Specifically, low‐barrier isotropic superprotonic conductivity exceeding 10−3 S cm−1 is achieved in a cocrystal of 1,2,3‐triazole and phosphoric acid.
Kaito Nishioka +9 more
wiley +2 more sources