Results 111 to 120 of about 93,451 (264)

Evidence for a Grotthuss-Like Mechanism in the Formation of the Rhamnose Alkoxy Radical Based on Periodic DFT Calculations [PDF]

, 2007
Ewald Pauwels, Reinout Declerck, Véronique Van Speybroeck, Michel Waroquier   +3 more
openalex   +1 more source

Molecular Structure, Vibrational Assignments and Nonlinear Optical Properties of Borazine by DFT Calculations

, 2021
Vinayak Deshmukh
openalex   +1 more source

Tunable Coordination Number in Non‐Metal‐Introduced Copper Catalysts Enables High‐Performance Electrochemical CO2 Reduction to C2 Products

Advanced Functional Materials, EarlyView.
Copper catalysts introduced with different non‐metallic elements regulating the coordination number of Cu are prepared by magnetron sputtering. Reducing the Cu coordination number enhances C─C coupling and boosts C2+ product selectivity, by lowering the energy barrier for the *CO → *CHO conversion step. The optimized Si‐doped Cu catalyst achieves a C2+
Xiaoye Du, Bo Gao, Yixuan Yang, Young In Jo, Dan Qian, Chunhui Xiao, Shujiang Ding, Zhongxiao Song, Ki Tae Nam   +8 more
wiley   +1 more source

Encapsulating Zinc Powder in MXene/Silk Scaffolds with Zincophilic‐Hydrophobic Polymer for Flexible Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work develops flexible zinc‐ion batteries (FZIBs) using a zincophilic/hydrophobic polymer (thermoplastic polycarbonate‐based polyurethane, TPCU) to protect Zn powder anodes and MXene/Silk (MXS) as flexible current collectors. The designed TPCU‐ZnP@MXS structure enables uniform Zn deposition, yielding dendrite‐free anodes with stable cycling ...
Zixuan Yang, Zhiyu Wang, Junlun Cao, Han Wang, Weiwei Lei, Jingliang Li, Joselito M. Razal, Xungai Wang, Dan Liu   +8 more
wiley   +1 more source

An Ultra‐Robust Memristor Based on Vertically Aligned Nanocomposite with Highly Defective Vertical Channels for Neuromorphic Computing

Advanced Functional Materials, EarlyView.
An ultra‐robust memristor based on SrTiO3‐CeO2 (S‐C) vertically aligned nanocomposite (VAN) achieving exceptional endurance of 1012 switching cycles via interface engineering. Artificial neural networks (ANNs) integrated with S‐C VAN memristors exhibit high training accuracy across multiple datasets.
Zedong Hu, Hongyi Dou, Jeremy B. Gan, Cun Li, Xuanyu Sheng, Juanjuan Lu, Abhijeet Choudhury, Jialong Huang, Yizhi Zhang, Zhongxia Shang, Ye Cao, Xinghang Zhang, Haiyan Wang   +12 more
wiley   +1 more source

SuperBand: an Electronic-band and Fermi surface structure database of superconductors

Scientific Data
In comparison to simpler data such as chemical formulas and lattice structures, electronic band structure data provide a more fundamental and intuitive insight into superconducting phenomena.
Tengdong Zhang, Chenyu Suo, Yanling Wu, Xiaodan Xu, Yong Liu, Dao-Xin Yao, Jun Li   +6 more
doaj   +1 more source

Direct Evidence of Topological Dirac Fermions in a Low Carrier Density Correlated 5d Oxide

Advanced Functional Materials, EarlyView.
The 5d oxide BiRe2O6 is discovered as a low‐carrier‐density topological semimetal hosting symmetry‐protected Dirac fermions stabilized by nonsymmorphic symmetries. Angle‐resolved photoemission spectroscopy, quantum oscillations, and magnetotransport measurements reveal gapless Dirac cones, quasi‐2D Fermi surfaces, high carrier mobility, and a field ...
Premakumar Yanda, Jorge Cardenas‐Gamboa, Ding Pei, François Bertran, Leila Noohinejad, Snehashish Chatterjee, Changjiang Yi, Iñigo Robredo, Horst Borrmann, Maia G. Vergniory, Chandra Shekhar, Claudia Felser   +11 more
wiley   +1 more source

Backbone Heterojunction Photocatalysts for Efficient Sacrificial Hydrogen Production

Advanced Functional Materials, EarlyView.
Herein, a ‘single‐component’ organic semiconductor photocatalyst is presented in which a molecular donor is bonded to a polymer acceptor. The resultant material demonstrates exceptional photocatalytic activity for hydrogen evolution in aqueous triethylamine with an outstanding external quantum efficiency of 38% at 420 nm.
Richard J. Lyons, Rhys J. Bourhill, Ewan McQueen, Sam D. Harding, Krzysztof Pawlak, Thomas Fellowes, Harry W. Capps, Alexander J. Cowan, Andrew I. Cooper, Adrian M. Gardner, Martijn A. Zwijnenburg, Reiner Sebastian Sprick   +11 more
wiley   +1 more source

Fermi Surface Nesting and Anomalous Hall Effect in Magnetically Frustrated Mn2PdIn

Advanced Functional Materials, EarlyView.
Mn2PdIn, a frustrated inverse Heusler alloy, showing electronic‐structure driven anomalous Hall effect with Weyl crossings, Fermi‐surface nesting and near‐zero magnetization ideal for low‐magnetization spintronics. Abstract Noncollinear magnets with near‐zero net magnetization and nontrivial bulk electronic topology hold significant promise for ...
Afsar Ahmed, Arnab Bhattacharya, Prashant Singh, Ajay Kumar, Tukai Singha, Anis Biswas, Yaroslav Mudryk, I. Das   +7 more
wiley   +1 more source

Ion‐Selective Microporous Membranes via One‐Step Copolymerization Enable High‐Performance Redox Flow Batteries

Advanced Functional Materials, EarlyView.
A scalable one‐step copolymerization strategy is developed to produce low‐cost microporous ion exchange membranes that boost both the efficiency and lifespan of flow batteries. When combined with organic electrolytes in aqueous systems, these membranes enable safe and cheap flow battery energy storage, supporting the widespread integration of renewable
Jiaye Liu, Chunchun Ye, Ying Ma, Rui Tan, Xiangwen Wang, Huiting Zhang, Peng Song, Quan‐Fu An   +7 more
wiley   +1 more source