Results 91 to 100 of about 65,426 (218)

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Ablation‐Immune Thermal Armor Via Microstructural‐Compatibility Design for Extreme Thermal Conditions

Advanced Science, EarlyView.
This study unveils a microstructural‐compatibility design strategy that integrates reactive melt infiltration with plasma spraying to fabricate carbon fiber‐reinforced ZrC‐SiC composites. The deliberate incorporation of SiC into the ZrC coating releases heat accumulation, suppresses detrimental lamellar ZrO2 formation, and reduces residual stress. This
Hongkang Ou, Lingxiang Guo, Bing Liu, Ziyi Yi, Yuyu Zhang, Jia Sun, Qiangang Fu   +6 more
wiley   +1 more source

Redefining the Minimal Editable Unit of Supramolecular Synthons: A 1→2 Lattice‐Editing Strategy in Ternary Multicomponent Crystals

Advanced Science, EarlyView.
Inspired by skeletal editing, we propose a lattice‐editing strategy that extends the minimal editable unit in supramolecular crystals from individual components to local supramolecular structural units, enabling non‐stoichiometric one‐to‐many substitution while preserving the parent lattice architecture.
Zheng Lin, Honglei Xia, Min Li, Ruihui Wang, Ying Wang, Xiaoyu Feng, Mingjing Tang, Yuan Zhang, Qinghua Zhang   +8 more
wiley   +1 more source

Programmable Guest‐Induced 5‐Phase‐Transition Topological Reconstructions of Cobalt Formate Metal–Organic Frameworks

Advanced Science, EarlyView.
A reversible five‐phase topological cycle is achieved in a minimalist cobalt formate metal–organic framework. The amorphous phase functions as a programmable reactive hub, selectively reconstructing into four distinct crystalline architectures through cationic templates, humidity, or CO2.
Zhiyu Tao, Jingjian Li, Jing Ling, Tianxiang Chen, Wing‐Yiu Yu, Cong Lin, Tsz Woon Benedict Lo   +6 more
wiley   +1 more source

Supramolecular Zinc–Polyphenol Coordination Assemblies Mitigate Colonic Inflammation by Regulating Mucosal Barrier and Microbiome

Advanced Science, EarlyView.
A carrier‐free zinc‐coordinated polyphenol nanoplatform (ZnCA NPs) is designed as an “all‐in‐one” therapeutic strategy for intestinal inflammation. The ZnCA NPs exhibit enhanced colonic accumulation and broad‐spectrum reactive oxygen and nitrogen species scavenging.
Qiwen Xie, Mai Ye, Xuexia Liu, Jing Wang, Ying Chen, Lu Tan, Jinheng Fu, Xiaochang Huang   +7 more
wiley   +1 more source

A New Ordered Transformation‐Induced Plasticity Enables Exceptional Strength and Ductility in a B2 Medium‐Entropy Alloy

Advanced Science, EarlyView.
A novel B2‐ordered Ti‐Zr‐V‐Al medium‐entropy intermetallic is developed through controlled metastability engineering, which activates an ordered TRIP effect via a new B2→D019‐α2 transformation with a distinctive {0001}α2//{110}B2, <11‐20>α2//<100>B2 orientation relationship. This alloy achieves an elongation of ∼7%, a strength of ∼1.1 GPa, and superior
Chaohua Li, Yidong Wu, Boyuan Zheng, Xu Zhang, Xiongjun Liu, Wenli Song, Ning An, Chengbo Xiao, Xidong Hui   +8 more
wiley   +1 more source

Sn‐Driven Grain Boundary Elimination for Single‐Crystalline Ni‐Rich Cathodes with Superior High‐Voltage Stability in Lithium‐Ion Batteries

Advanced Science, EarlyView.
A low‐temperature synthesis method of single‐crystalline NCA was successfully achieved by Sn doping, employing the same synthetic conditions as its polycrystalline counterparts. This synthesis was conducted at a temperature that was 150 °C lower than that required for synthesizing single‐crystalline NCA without Sn doping.
Guomeng Xie, Delai Qian, Ruiwu Li, Terence Xiaoteng Liu, Shun Lu   +4 more
wiley   +1 more source

Coordinated Electronic‐Transport Regulation and Multiscale Phonon Scattering in Sb–La Co‐Doped GeTe

Advanced Science, EarlyView.
Synergistic Sb–La co‐doping simultaneously regulates hole concentration and creates strain‐field fluctuations and multiscale structural disorder in GeTe. Electrical transport is preserved, while electronic and lattice thermal conductivities are strongly suppressed.
Ting Lu, Huangshui Ma, Mingquan Li, Min Hong   +3 more
wiley   +1 more source

Self‐Healing UPy‐Functionalized Polyethylene Networks: A Robust Platform for Resilient and High‐Performance Lithium Battery Separators

Advanced Science, EarlyView.
Self‐healing separators are developed by grafting ureidopyrimidinone (UPy) quadruple hydrogen‐bonding motifs onto PE‐HEMA copolymers, blended with high‐MW PEO via solvent‐free hot‐pressing. The dynamic UPy network enables autonomous healing, restoring functionality after short circuits.
Daniele Callegari, Arkadiusz Zych, Roberta Pinalli, Enrico Dalcanale, Eliana Quartarone   +4 more
wiley   +1 more source

Strengthening Constitutive Motifs in Isotropic Fibrous Hydrogel for Exceptional Damage Resistance

Advanced Science, EarlyView.
An orientation‐free strategy is reported for fabricating damage‐resistant hydrogels by strengthening constitutive motifs in isotropic fibrous (IF) networks. Through nonsolvent quenching followed by salting‐out, IF networks are generated and their multiscale constituents are subsequently reinforced, yielding dense and crystalline isotropic nanofiber ...
Bolin Wan, Xule Yang, Liju Xu, Dong Qiu
wiley   +1 more source