Results 71 to 80 of about 3,046,010 (256)

Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework

Advanced Functional Materials, EarlyView.
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu, Jun Xu, Minmin Fan, Jingcheng Xu, Mengyuan Li, Yun Gong, Weiwei Yang, Lei Li, Yong Zhou, Deqiang Zhao, Yuhua Xue, Xingtao Xu, Chang Q. Sun, Liming Dai   +13 more
wiley   +1 more source

Molecular simulation of the phase behavior of noble gases using accurate two-body and three-body intermolecular potentials [PDF]

, 1999
Gibbs ensemble Monte Carlo simulations are reported for the vapor- liquid phase coexistence of argon, krypton, and xenon. The calculations employ accurate two-body potentials in addition to contributions from three-body dispersion interactions resulting ...
Sadus, Richard J., Marcelli, Gianluca, Richard J. Sadus, Gianluca Marcelli   +3 more
core   +1 more source

Advances in Sustainable and Wearable Textile Based Soft Robotics

Advanced Functional Materials, EarlyView.
This Review examines advances in wearable textile‐based soft robotics, focusing on sustainable materials, integrated sensing, and scalable actuation. It discusses manufacturing and system integration across healthcare, assistive robotics, prosthetics, and human–machine interfaces, and highlights key challenges in circular design, including life‐cycle ...
Zahir Abbas, Marzia Dulal, Sophia K. Novoselov, Victoria K. Novoselov, Kostya S. Novoselov, Shaila Afroj, Nazmul Karim   +6 more
wiley   +1 more source

Profiling Intermolecular Interactions of Theophylline: Analysis of Some Classes of Theophylline Containing Co-Crystals

Crystals
Intermolecular interactions play an important role in the formation and stability of co-crystals. In this study, the interaction behaviour of theophylline in co-crystal structures was systematically analysed using data from the Cambridge Structural ...
Martin H. Polko, Guido J. Reiss
doaj   +1 more source

New method of increased accuracy for the calculation of intermolecular interactions in thermotropic polymers

Results in Materials, 2019
Thermotropic polymeric tissues have attracted considerable scientific interest for their useful biomedical applications. The complex coupling of van der Waals and steric interactions influences the thermal response of polymers’ molecular structure ...
Ebtisam A. Aldaais
doaj   +1 more source

Semiconducting Polymers Post‐Functionalized With Ureido‐Pyrimidinone for Robust Stretchable Transistors

Advanced Functional Materials, EarlyView.
The design of intrinsically robust stretchable semiconducting polymers was achieved through OTBS‐mediated post‐functionalization of PDPP2T side chains with UPy units, generating dual hydrogen‐bonding motifs comprising weaker urethane linkages and strong quadruple UPy interactions along the long alkyl side chain, which is crucial for achieving desirable
Dinda Bazliah, Livy Laysandra, Kosuke Terayama, Xingyu Yang, Atsushi Isobe, Tai‐Chin Chiang, Tsuyoshi Michinobu, Yu‐Cheng Chiu   +7 more
wiley   +1 more source

Structural Power Composites Based on High Mass Loading Zn‐Ion Hybrid Supercapacitors with Metal Mesh Current Collectors and Aramid Nanofiber/Glass Fiber Composite Electrolytes

Advanced Functional Materials, EarlyView.
A multifunctional structural power composite is developed by integrating high‐mass‐loading Zn‐ion hybrid supercapacitors with metal mesh current collectors and aramid nanofiber‐based composite electrolytes, enabling simultaneous load‐bearing capability and enhanced areal energy storage.
Yuseung Choi, Gilyong Shin, Hoyeon Lee, Eun Jae Nam, Byeong Jun So, Sungryul Yun, Fu‐Kuo Chang, Jei Gyeong Jeon, Tae June Kang   +8 more
wiley   +1 more source

Introduction to dorectional intermolecular interactions. Hydrogen bonds, stacking interactions and halogen bonds

, 2011
The review presents the typical bonding intermolecular interactions: hydrogen bonds, halogen bonds and stacking interactions. The first part describes the specific types of intermolecular interactions, including their definitions, energy and selected ...
Kruszyński, Rafał
core   +1 more source

7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[c,h]acridine

IUCrData, 2019
In the title compound, C34H35NO4, the dihedral angle between the pyridine ring and attached benzene ring is 79.17 (8)°. The methoxyethoxy–ethoxy side chain is disordered over two orientations in a 0.732 (7):0.268 (7) ratio. In the crystal, very weak C—H..
Sijing Zhang, Heguo Han, Yahan Xu, Wen Ma, Jieying Wu   +4 more
doaj   +1 more source

Functionalizing Micro‐to‐Mesoscopic Electrode Architectures for Regulating Electron Transfer Behaviors in Electrocatalysis

Advanced Functional Materials, EarlyView.
A systematic review is conducted to assess the influence of electrode architecture across micro‐ to mesoscopic length scales on electron‐transfer pathways in electrocatalysis. We discuss the structure‐activity relationships in electrocatalytic applications, including resource recovery and environmental remediation, and provide cost‐effective, efficient
Manshu Zhao, Jiaojiao Zhang, Shideng Yuan, Xinmeng Yu, Keming Wan, Xiaoguang Duan, Zhining Wang   +6 more
wiley   +1 more source