Results 261 to 270 of about 1,228,351 (351)

Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations

open access: yesAdvanced Science, EarlyView.
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

Nanozymes for Energy and Environmental Sustainability

open access: yesAdvanced Science, EarlyView.
At present, the widely used nanozymes are oxidoreductase and hydrolase, which have proved to have great application prospects in energy and environment. ABSTRACT Nanozymes have shown remarkable promise in addressing pressing challenges in energy and environmental sustainability.
Xiaoqi Li, Jinxing Chen, Shaojun Dong
wiley   +1 more source

Reaction Mechanism, Challenges, and Strategies of High‐Energy‐Density Sodium‐Ion Batteries

open access: yesAdvanced Science, EarlyView.
Focusing on high‐energy‐density sodium‐ion batteries, this review highlights the advantages offered by conversion‐type cathode materials. The currently studied cathode materials are systematically introduced. By analyzing sulfur, oxygen, and transition metal halides and other conversion‐type cathodes, the key challenges associated with these cathodes ...
Dan Yu   +8 more
wiley   +1 more source

Designing Ductile 2‐GPa Yielding Titanium Alloys via Multifunctional Subgrain Boundaries and Nanoprecipitates

open access: yesAdvanced Science, EarlyView.
By engineering ultrafine β‐subgrains and nanoscale α‐precipitates in titanium alloys, the unique architecture achieves an unprecedented ultra‐high strength of 2 GPa while maintaining a notable uniform elongation of 6%, a combination that is both rare and highly promising for structural applications of titanium alloys.
Dingxuan Zhao   +10 more
wiley   +1 more source

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