Results 281 to 290 of about 621,380 (345)

Accelerated Kinetics of Desolvation and Redox Transformation Enabled by MOF Sieving for High‐Loading Mg‐S Battery

Advanced Functional Materials, EarlyView.
A strategy of sieving catalysis based on the MIL‐101(Cr) with multistage pore structure and Lewis acid sites has been proposed as the catalyst to accelerate the kinetics of desolvation and redox conversion of sulfur species, achieving high performance Mg‐S batteries.
Qinghua Guan, Quan Zhuang, Wenlong Xu, Yongzheng Zhang, Shuang Cheng, Jing Zhang, Meinan Liu, Hongzhen Lin, Jian Wang   +8 more
wiley   +1 more source

Molecular dynamics simulation and analysis of pre-crystallization layer between liquid and solid states. [PDF]

Sci Rep
Chirkov PV, Dremov VV, Kichigin RM, Karavaev AV, Sapozhnikov FA, Cherepetskaya EB, Dub VS, Ivanov IA, Salikhov SV.   +8 more
europepmc   +1 more source

Printed Integrated Logic Circuits Based on Chitosan‐Gated Organic Transistors for Future Edible Systems

Advanced Functional Materials, EarlyView.
Edible electronics needs integrated logic circuits for computation and control. This work presents a potentially edible printed chitosan‐gated transistor with a design optimized for integration in circuits. Its implementation in integrated logic gates and circuits operating at low voltage (0.7 V) is demonstrated, as well as the compatibility with an ...
Giulia Coco, Valerio Francesco Annese, Valerio Galli, Ilaria Penna, Debora Russo, Marina Veronesi, Rita Scarpelli, Stefania Sabella, Mario Caironi   +8 more
wiley   +1 more source

The potential mechanism of Huangqin for treatment of systemic lupus erythematosus based on network pharmacology, molecular docking and molecular dynamics simulation. [PDF]

PeerJ
Zheng S, Yang H, Wu J, Jin O, Zhang X.
europepmc   +1 more source

Quantifying Electron and Ion Transfers in Contact Electrification with Ionomers

Advanced Functional Materials, EarlyView.
The concurrent existence of both electron and ion transfers in solid‐ionomer contact electrification is reported. The ion transfer contributes significantly to the process of contact electrification, especially at high humidity, although only less than 2% of ions participate in the ion transfer, suggesting that there is room for further performance ...
Xiaoting Ma, Jiaming Zhou, Eunjong Kim, Jingyi Gao, Wenyi Hu, Dong‐Myeong Shin   +5 more
wiley   +1 more source

CrypTothML: An Integrated Mixed-Solvent Molecular Dynamics Simulation and Machine Learning Approach for Cryptic Site Prediction. [PDF]

Int J Mol Sci
Motono C, Yanagisawa K, Koseki J, Imai K.   +3 more
europepmc   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

Advanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir, Yuhao Wang, Jingwei Li, Yunfeng Tian, Francesco Ciucci   +4 more
wiley   +1 more source

Influence of ultrafast laser processing on amorphous structures - based on molecular dynamics simulation. [PDF]

RSC Adv
Liu S, Liu J, Liu J, Chen J.
europepmc   +1 more source

Investigation of Compatibility Mechanisms and Diffusion Behavior of Polymer SBS-Modified Asphalt Compatibilizer Using Molecular Dynamics Simulation. [PDF]

Materials (Basel)
Li N, Liu Z, Yin J, Zhang H, Dou H, Li B.   +5 more
europepmc   +1 more source

Parametric Studies of Polyacrylamide Adsorption on Calcite Using Molecular Dynamics Simulation. [PDF]

Molecules
Hue KY, Lew JH, Matar OK, Luckham PF, Müller EA.   +4 more
europepmc   +1 more source