Results 141 to 150 of about 52,908 (293)
Advanced Science, EarlyView.Conjugated poly(imide dioxime)‐based microspheres establish a radiometal coordination‐driven conformational interlocked network with ultra‐high radiostability. This platform enables low‐temperature, multi‐radionuclide labeling for SPECT/PET/MRI imaging and radionuclide therapy. Mechanistic insights from EXAFS and DFT reveal enhanced stability, while in
Xiao Xu +10 more
wiley +1 more source
Advanced Science, EarlyView.A novel multiscale MD/DFT framework to elucidate microenzyme adsorption and electron transfer is reported. This method reveals distinct configurations for microperoxidase‐11 on graphene and those best suited for electron transfer. Rate constants align with the limited experimental data, establishing this framework as a tool for optimizing microenzyme ...
Milan Mijajlovic +6 more
wiley +1 more source
Advanced Science, EarlyView.Fused‐ring engineering unlocks record efficiency in vacuum‐deposited organic solar cells. By replacing linear π‐bridges with fused‐ring analogues in triarylamine‐based donors, we achieve enhanced molecular planarity, red‐shift optical absorption, minimize energy loss and optimized phase separation.
Yun‐Fei Li +13 more
wiley +1 more source
Physics‐Guided Descriptors Enable Data‐Efficient Prediction of Battery Coulombic Efficiency
Advanced Science, EarlyView.This work integrates multiscale simulations with data‐driven approaches to predict Coulombic efficiency (CE). Multiscale simulations of battery systems are performed to extract Physics‐Guided descriptors and construct a dataset. Machine learning models trained on this dataset are then subjected to interpretable analysis to identify the most influential
Qintao Sun +9 more
wiley +1 more source
Advanced Science, EarlyView.Dual‐state activation of singlet and triplet excitons is achieved in perylene‐based nanomicelles via donor engineering. By synergistically pairing charge transfer with energy transfer pathways, while concurrently enabling pollutant pre‐enrichment, this strategy establishes spatial coupling between efficient ROS generation and rapid mineralization ...
Chenfan Xie +8 more
wiley +1 more source
Advanced Science, EarlyView.Ti‐doped Zr/Ti bimetallic MOFs activate neighboring Zr sites to selectively capture phospholipids from serum through cooperative interactions. In nontargeted screening, the material minimizes matrix interference, expands detectable feature coverage, and enables broad recovery of diverse chemical hazards, providing a powerful cleanup strategy for LC ...
Yanmin Liang +5 more
wiley +1 more source
The Preparatory (Anti)Bonding Character of Molecular Orbitals
Advanced Science, EarlyView.Herein, a concept to qualitatively predict changes in bond dissociation energies upon reduction or oxidation of molecular compounds is introduced. Changing the population of so‐called preparatory molecular orbitals influences how molecular fragments are relaxing after bond cleavage, which is shown for isolated organometallic aluminum compounds as well ...
Jonas O. Wenzel +10 more
wiley +1 more source
Adaptive Cu Reconstruction in Heterostructure Drives High‐Rate Nitrate‐to‐Ammonia Conversion
Advanced Science, EarlyView.An adaptively reconstructed Cu/CoOX heterojunction, featuring a surface‐localized, hydroxyl‐rich oxidized Cu species, forms in situ from a CuO/CoOX (Co1Cu9OX) pre‐catalyst during electrochemical nitrate reduction. The self‐adaptive reconstruction and the incorporation of heterostructure regulate nitrogen‐containing intermediate adsorption and *H supply,
Chunyu Yuan +5 more
wiley +1 more source