Results 151 to 160 of about 11,397,539 (252)

Spatially Regulated Silicon Clusters in Trimodal Composite Anodes for High‐Energy Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A trimodal anode architecture spatially regulates silicon clusters within confined interstitial environments formed by graphite and contorted hexabenzocoronene. This confinement suppresses silicon aggregation and localized stress while enabling efficient Li‐ion transport, achieving high‐capacity, stable lithium‐ion batteries.
Jeongmi Joo, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Hyunji Cha, Jimin Han, Ji‐Su Lim, Dae Hyeon Kwon, Won‐Jin Kwak, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +11 more
wiley   +1 more source

An Open Implementation of MSEVB for Reactive Force Field Simulation with Simple Energy-Based Coupling. [PDF]

J Chem Theory Comput
Armstrong BI, Spackman PR, LeBlanc LM, Raiteri P, Gale JD.   +4 more
europepmc   +1 more source

A Holistic Platform Approach for Developing Robust Pulmonary mRNA Delivery: Integrating Novel Phenolic Acid‐Derived Ionizable Lipids and Device Engineering

Advanced Functional Materials, EarlyView.
An integrated pulmonary mRNA delivery platform combining novel biodegradable syringic acid‐derived ionizable lipids, design‐of‐experiments formulation optimization, and vibrating‐mesh nebulizer engineering enabled stable aerosolization and efficient lung delivery.
Neha Kaushal, Younan Ma, Asad Khanmohammed, Dipen Parande, Hanming Zhang, Saket Dolare, Juliet Chen, Apiwat Wangweerawong, Saswata Karmakar, Hongfeng Deng, Frank Koppenhagen, Shraddha Sharma, Eric Reyes, Sherry He, Lianne Boeglin, Caroline Woo, Azadeh Paksa, Ayed Allawzi, Anusha Dias, Gregory Troiano, Shrirang Karve, Frank DeRosa   +21 more
wiley   +1 more source

Enerzyme: An Efficient Reactive Neural Network Potential Training Framework for Enzyme Cluster Models with Application to Methyltransferases. [PDF]

J Chem Theory Comput
Luo W, Kulik HJ.
europepmc   +1 more source

Rapid Microwave Plasma Engineering of HfO2/C@C Core‐Shell Fibrous Membrane Toward Flexible High‐Performance Electromagnetic Wave Absorption

Advanced Functional Materials, EarlyView.
Rapid microwave plasma torch engineering tunes crystal phases, carbon graphitization and oxygen‐vacancy defects in HfO2/C@C core‐shell fibrous membranes. Synergistic multi‐loss effects optimize impedance matching to deliver −65.75 dB reflection loss and a 7.37 GHz effective bandwidth for flexible electromagnetic wave absorption.
Qichao Ding, Limeng Song, Wei Li, Jiangtao Hao, Xuewen Jiang, Mengru Li, Xinglai Yuan, Gang Wang, Yanqiu Zhu, Mi Tian, Hailong Wang, Hongxia Li, Biao Zhao, Rui Zhang, Bingbing Fan   +14 more
wiley   +1 more source

Study of the Gas-Phase Pyrolysis of N-Aryl-3-Oxobutanamides and the 2-Aryl Hydrazone Derivatives: A Novel Computational Approach Including DFT with Multivariant Analysis. [PDF]

Molecules
Ipanaque-Chávez R, Loroño M, Cordova-Sintjago T, Paz JL, Garrido Schaeffer CJA.   +4 more
europepmc   +1 more source

Self‐Assembled Crystalline Peptoid Nanomaterials as Metal‐Free Enzyme Mimics for Enhanced Carbon Dioxide Hydration and Precipitation

Advanced Functional Materials, EarlyView.
Inspired by metal‐free carbonic anhydrases (CAs) that achieve efficient catalysis without metal cofactors, we herein report a sequence‐defined supramolecular peptoid platform that mimics metal‐free CAs and exhibits hydrolytic activity via a supramolecular assembly‐mediated proton‐transfer mechanism.
Progyateg Chakma, Ying Chen, Thi Kim Hoang Trinh, Anthony R. Perez, Jonathan Gil, Maria Casco Hidalgo, Botao Hao, Kyle Whitaker, Chun‐Long Chen   +8 more
wiley   +1 more source

Multistate reactivity of weak-field clusters at ambient temperatures. [PDF]

Nat Commun
John TS, Murray LJ.
europepmc   +1 more source

Deciphering the Photopolymerization‐Induced Nanostructures and Interface Formation for Submicrometer Additive Manufacturing

Advanced Functional Materials, EarlyView.
This work reveals the UV‐curing‐induced monomer‐rich domain, oligomer‐rich domain, and entangled oligomer domain. The cured submicron films in stressed state induce interlayer nano‐wrinkle structures during the deposition of the second layer. Stress‐free cured films in relaxed state form non‐diffusive, diffusive and semi‐diffusive interlayer ...
Shouzheng Chen, Yufeng Zhai, Jungui Zhou, Lixing Li, Simon Schraad, Guangjiu Pan, Xuehe Jiang, Sarathlal Koyiloth Vayalil, Rolf A. T. M. van Benthem, Julien R. G. Navarro, Johan F. G. A. Jansen, Mats K. G. Johansson, Peter Müller‐Buschbaum, Stephan V. Roth   +13 more
wiley   +1 more source

Fluorine substitution <i>vs.</i> central metal regulation: electronic properties and intrinsic reactivity of Au(iii)- and Ag(iii)-coordinated corroles from comprehensive DFT calculations. [PDF]

RSC Adv
Chen Y, Dong L.
europepmc   +1 more source