Results 121 to 130 of about 52,570 (259)
This study employs a nanochain engineering approach combined with an in situ oxidation strategy to fabricate self‐insulating iron‐based magnetic nanochains, addressing the challenge of balancing magnetic coupling and electrical insulation in soft magnetic materials.
Dingrong Zuo +8 more
wiley +1 more source
Transforming Grain‐Boundary Brittle Precipitates to Ductility Pathways in Complex Concentrated Alloy
By engineering graded BCC/L12 interfaces, brittle precipitates in a complex concentrated alloy enable sequential deformation, realizing gigapascal strength with >20% elongation to solve the strength‐ductility trade‐off. ABSTRACT Conventional wisdom holds that hard grain‐boundary (GB) precipitates embrittle structural alloys by acting as crack ...
Zhixin Li +14 more
wiley +1 more source
In situ formed Al/MOF enables viable visible‐light‐driven photocatalytic dehydrogenation of alane (AlH3) confirming practical application. Results demonstrate that Al nanoparticles prolong lifetime of photogenerated charge carriers via localized surface plasmon resonance induced hot electron injection, while AlH3 chemisorption triggers interfacial ...
Ting‐Ting Li +11 more
wiley +1 more source
Hierarchical Embedded Sphere Model combines DFT and interpretable machine learning to decode catalytic activity on TM‐doped MO2. It disentangles global electronic, active‐site, and local coordination effects, revealing two activation mechanisms: dopant‐driven (Rh@MO2) and coordination‐mediated (Fe@ZrO2).
Ziyuan Li +5 more
wiley +1 more source
Al/Se co‐substitution in Li6PS5Cl achieves enhanced dry‐air stability and improves Li+ conductivity, retaining 85% of its high Li+ conductivity (4.91 mS cm−1 at 30 °C) after dry‐air exposure (dew point −40 °C for 5 h). The stability enhancement is experimentally validated and underpinned by theoretical analyses indicating suppressed rotation of P[S2SeO]
Juhyoun Park +12 more
wiley +1 more source
Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations
Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa +2 more
wiley +1 more source
A novel “Cu‐mediated interstitial site engineering” strategy is introduced to thermodynamically stabilize hexagonal oxygen (hex‐O) configurations in oxygen‐containing titanium alloys. The hex‐O configuration activates multiple slip systems and enhances dislocation pinning via long‐range repulsion.
Xiaobin Lin +14 more
wiley +1 more source
A synergistic electron transfer (ET) optimization strategy modulating conformational dynamics, ET pathway, and substrate orientation is proposed for self‐sufficient cytochrome P450s. Guided by this strategy, a P450 variant with improved ET and catalytic efficiency was identified, and the underlying molecular basis was revealed by computational analysis.
Ziqi Liang +9 more
wiley +1 more source
Atomically Precise Clusterzymes: A Programmable Optoelectronic Platform for Neuroscience
Atomically precise clusterzymes, engineered via atomic and ligand design, serve as programmable platforms for neuroscience applications. They demonstrate tailored biocatalysis for neuroinflammation, tunable optical properties for deep‐tissue bioimaging and 3D visualization, and enhanced charge transfer for brain–computer interfaces.
Si Sun +6 more
wiley +1 more source
Thermodynamic optimization of a neoteric geothermal poly-generation system in an oilfield
Tailu Li, Jialing Zhu, Wei Zhang, Jun Li
openaire +1 more source

