Results 121 to 130 of about 214 (209)

Taming Flexibility: Synergistic Pore and Polarity Engineering in a MOF for High‐Efficiency Xe/Kr Separation

Advanced Science, EarlyView.
Through a mixed‐ligand strategy that precisely regulates pore size and framework polarity, the Xe adsorption behavior is transformed from flexible to near‐rigid. ZIF‐7‐Cl(20) achieves sensitive recognition, efficient capture, and high selectivity for Xe, enabling high‐efficiency separation from Xe/Kr mixtures.
Tao Zhao, Xue Wang, Youjin Gong, Siqi Dong, Shunshun Xiong, Hui Xu, Aziz Bakhtiyarovich Ibragimov, Thamraa Alshahrani, He Zheng, Lin Li, Junkuo Gao   +10 more
wiley   +1 more source

Unveiling a Hidden Conversion Pathway in CoSe2 Anodes via Rationally Designed CNT‐Interwoven Hollow Carbon Microclusters for High‐Performance Potassium‐Ion Batteries

Advanced Science, EarlyView.
A rational architectural design of hierarchical, CNT‐interwoven hollow carbon microclusters unlocks and stabilizes a unique monoclinic Co3Se4‐mediated conversion–insertion pathway for potassium storage. This structural confinement effectively guides the reaction kinetics and accommodates severe mechanical strain.
Ho Rim Kim, Seohyeon Jang, Hong Geun Oh, Jaewoo Lee, Jihun Yeom, Daiha Shin, Jiung Cho, Inho Nam, Seung‐Keun Park   +8 more
wiley   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Carboxylate‐Driven Metal Pre‑Fixation COF@MOF Synthesis: Enabling Tailored Structural, Dimensional, and Defect Engineering

Advanced Science, EarlyView.
A universal metal pre‐fixation (MPF) strategy directs the precise crystallization of diverse metal‐organic frameworks (Co‐MOF, ZIF‐8, Fe‐MOF, UIO‐66) on covalent organic framework (PY‐COF) scaffolds. The resulting hierarchical hybrids exhibit tunable porosity, structural defective and dimensional, as well as enhanced performance in CH4/C2H6/C3H8 ...
Ying Zhao, Dongmei Chen, Huilin Zheng, Min Chen, Dingtang Li, Shuyu Xie   +5 more
wiley   +1 more source

AI‐Assisted Digital Single‐Molecule Activity Tracker for Decoupling Intrinsic Heterogeneity from Photo‐Oxidative Damage in High‐Photon‐Flux Enzymology

Advanced Science, EarlyView.
Employing a digital single‐molecule activity tracker (dSMAT), this research demonstrates that high‐photon‐flux irradiation drives progressive oxidative scarring in polymerases. Unlike simple thermal denaturation, real‐time kinetic tracking dynamically visualizes enzymes degrading into multiple impaired subpopulations.
Anran Zheng, Qi Yang, Jinze Li, Fuqiang Ma, Xuefeng Wang, Zhen Guo, Chuanyu Li, Dongshu Li, Jia Yao, Zhiqi Zhang, Wei Zhang, Lianqun Zhou   +11 more
wiley   +1 more source

Ultra‐Radiostable Covalent Conformationally Interlocked Networks Enabling a Universal Radiometal‐Labeling Platform for Cancer Radioembolization

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, Zhenwen Zhao, Yangjie Wang, Zhigang Liu, Zhijie Liu, Xiaoling Li, Zhichen Mao, Lu Xu, Gan Lin, Gang Liu, Hongjuan Ma   +10 more
wiley   +1 more source

Autonomous High‐Throughput Characterization of Liquid‐Liquid Phase Behavior

Advanced Science, EarlyView.
This study introduces an automated dual modality platform, combining asymmetric capacitance deviation and multiangle turbidimetry, for high‐throughput characterization of liquid‐liquid phase behavior across chemically diverse fluid systems. The platform enables miscibility classification, resolution of phase separation kinetics and emulsion stability ...
Tarek Eid, Maryam Ebrahimiazar, Mohammad Zargartalebi, David Sinton   +3 more
wiley   +1 more source

Exact Discrete Stochastic Simulation With Deep‐Learning‐Scale Gradient Optimization

Advanced Science, EarlyView.
A 203,796‐parameter gene regulatory network classifies handwritten digits with 98.4% accuracy using exact stochastic dynamics. The framework decouples forward simulation from backward differentiation, making continuous‐time Markov chain models compatible with deep‐learning optimization.
Jose M. G. Vilar, Leonor Saiz
wiley   +1 more source

Thermally Driven Supramolecular Chirality Evolution in Low‐Bandgap Fused‐Ring Conjugated Molecules for High‐Performance NIR Circularly Polarized Light Detection

Advanced Science, EarlyView.
A supramolecular chirality evolution strategy in chiral low‐bandgap fused‐ring conjugated molecules enables high‐performance near‐infrared (NIR) circularly polarized light photodetection. Halogen substitution and thermal annealing induce chiral amplification and hierarchical ordering. Integrated into Schottky barrier vertical transistors, the optimized
Jaeyong Ahn, Kwangmin Kim, Sangwook Lee, Seul Lee, SungHyun Hur, BongSoo Kim, Joon Hak Oh   +6 more
wiley   +1 more source