Results 131 to 140 of about 93,472 (290)
Molecular Design Strategies for High‐Voltage Organic Cathodes
Advanced Energy Materials, EarlyView.This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong +8 more
wiley +1 more source
Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs
Advanced Intelligent Discovery, EarlyView.Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal +3 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
wiley +1 more source
Tuning the Magnetic Phase Transitions in TbMn2‐xTixSi2 (x = 0–0.3)
Advanced Physics Research, EarlyView.ABSTRACT Magnetocaloric materials receive considerable attention as promising candidates for next‐generation energy‐efficient and environmentally benign solid‐state refrigeration technologies. These materials exhibit the magnetocaloric effect (MCE), whereby heat is absorbed or released upon the application or removal of a magnetic field. In this study,
E. M. H. Arif +5 more
wiley +1 more source
Chemistry – A European Journal, EarlyView.We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang +5 more
wiley +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.This article reviews the fundamental consequences of strong correlations on excitations and elementary steps of energy conversion leading to new opportunities to control energy conversion. Examples include friction at surfaces, thermal transport, and photovoltaic energy conversion.
Vasily Moshnyaga +14 more
wiley +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.Low‐dimensional materials (0D, 1D, and 2D) exhibit unique electronic and physicochemical properties, enabling advanced nanoelectronic and optoelectronic devices. Mixed‐dimensional heterostructures combine these materials to enhance functionality.
Qaisar Alam +3 more
wiley +1 more source
High Cooling Rate for LRE123 Stoichiometry Control in Preparation of High‐Tc Bulk Superconductors
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.This review presents the cooling‐rate‐control melt‐growth (CRCMG) method as an effective strategy for regulating LRE123 cation stoichiometry. By accelerating the cooling rate during crystallization, oxygen vacancies are increased in the growing lattice, which suppresses LRE3+/Ba2+ substitution and yields near‐ideal 1:2:3 stoichiometry with enhanced ...
Yanhan Zhu, Xin Yao
wiley +1 more source