Results 131 to 140 of about 1,209,817 (305)

Combustion Performance of Silicone Rubber Polymer Insulation Material Under Damp‐Heat Ageing Conditions: Molecular Insights Into the Effects of Structural Changes on Macroscopic Properties

High Voltage, EarlyView.
ABSTRACT Silicone rubber (SR), an organic silicon polymer material, is known for its excellent heat resistance and mechanical properties. It is widely used in composite insulators and cable accessory materials. However, the ageing caused by humidity and heat significantly impacts its performance, an issue that cannot be ignored. This paper investigates
Wenyu Ye, Xinhan Qiao, Wentian Zeng, Le Yu, Yinfu Chen, Ke Xu, Jianwen Zhang   +6 more
wiley   +1 more source

Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

, 2016
Atomic partial charges appear in the Coulomb term of many force-field models and can be derived from electronic structure calculations with a myriad of atoms-in-molecules (AIM) methods.
Farnaz Heidar-Zadeh, Frisch M. J., Louis Vanduyfhuys, Michel Waroquier, Paul W. Ayers, Steven Vandenbrande, Toon Verstraelen, Veronique Van Speybroeck   +7 more
core   +2 more sources

Suppressing Electron–Phonon Coupling via Solid Additives for High‐Performance Organic Solar Cells

Aggregate, Volume 7, Issue 2, February 2026.
This work highlights the importance of solid additives in suppressing the electron–phonon coupling effect as a key strategy for advancing organic photovoltaics. By suppressing electron–phonon coupling, solid additive BCN‐2 increases exciton lifetime and enhances exciton diffusion, leading to improved charge transport and a high power conversion ...
Misbah Sehar Abbasi, Zequn Zhang, Ziyang Han, Jikai Lv, Song Wang, Siying Wang, Yi Feng, Jiarui Wang, Guanghao Zhang, Nida Wali, Zihao Xu, Qian Peng, Yunhao Cai, Hui Huang   +13 more
wiley   +1 more source

Bis[bis(N-2-hydroxyethyl,N-isopropyl-dithiocarbamato)mercury(II)]2: crystal structure and Hirshfeld surface analysis [PDF]

, 2016
The presence of both κ2-chelating and μ2,κ2-tridentate bridging dithiocarbamate ligands in centrosymmetric {Hg[S2CN(iPr)CH2CH2OH]2}2 (1) leads to globular aggregates that are linked into a three-dimensional architecture via hydroxyl-O–H···O(hydroxy ...
Jotani, Mukesh M., Tan, Yee Seng *, Tiekink, Edward R. T. *   +2 more
core   +1 more source

Contact Electrification via Redox‐Active Molecules

Angewandte Chemie, Volume 138, Issue 1, 2 January 2026.
We present a novel molecular design strategy to perform electronic charge transfer during contact electrification by functionalizing surfaces with redox‐active organic molecules. To elucidate and quantify the underlying molecular‐level electron transfer processes, we combine X‐ray photoelectron spectroscopy, electrochemical analysis, density functional
Nisha Ranjan, Zohreh Izadi, Philipp Gaiser, María B. Camarada, Rekha Sharma, Andrej Weber, Michael Daub, Qiwei Hu, Michael Fiederle, Leonard Mayrhofer, Michael Moseler, Anna Fischer, Michael Walter, Birgit Esser, Bizan N. Balzer   +14 more
wiley   +2 more sources

Bis[S-benzyl 3-(furan-2-ylmethylidene)dithiocarbazato-κ2N3,S]copper(II): crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2019
The title CuII complex, [Cu(C13H11N2OS2)2], features a trans-N2S2 donor set as a result of the CuII atom being located on a crystallographic centre of inversion and being coordinated by thiolate-S and imine-N atoms derived from two dithiocarbazate anions.
Enis Nadia Md Yusof, Nazhirah Muhammad Nasri, Thahira B. S. A. Ravoof, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Iso‐Nanozymes of Atomically Precise Copper Nanoclusters

Aggregate, Volume 7, Issue 2, February 2026.
This study introduces the novel concept of “iso‐nanozymes” through the application of atomically precise copper nanoclusters (Cu30/Cu32) to elucidate structure–activity relationships. The removal of two PPh3Cu+ units from Cu30 enhances its peroxidase‐like activity by 6.5‐fold relative to Cu32.
Jing Sun, Mengke Wang, Zong‐Jie Guan, Yunqing Kang, Xueli Sun, Yishu Wang, Rong Huo, Xuekun Gong, Xiaoxuan Xu, Chengrui Xin, Simin Li, Yusuke Yamauchi, Nanfeng Zheng, Xiyun Yan, Qingxiang Guo, Hui Shen   +15 more
wiley   +1 more source

Annealing Relaxation of Ultrasmall Gold Nanostructures

, 2014
Except serving as an excellent gift on proper occasions, gold finds applications in life sciences, particularly in diagnostics and therapeutics. These applications were made possible by gold nanoparticles, which differ drastically from macroscopic gold ...
Chaban, Vitaly
core   +1 more source

Crystal structure and Hirshfeld surface analysis of N-(tert-butyl)-2-(phenylethynyl)imidazo[1,2-a]pyridin-3-amine

Acta Crystallographica Section E: Crystallographic Communications, 2019
The bicyclic imidazo[1,2-a]pyridine core of the title compound, C19H19N3, is relatively planar with an r.m.s. deviation of 0.040 Å. The phenyl ring is inclined to the mean plane of the imidazo[1,2-a]pyridine unit by 18.2 (1)°.
Zahira Tber, Sevgi Kansiz, Mohamed El Hafi, Mohamed Loubidi, Jabrane Jouha, Necmi Dege, El Mokhtar Essassi, Joel T. Mague   +7 more
doaj   +1 more source

Solvent Hierarchy in Hydrogen‐Bonded Organic Frameworks Enables Orthogonal Stability and Dynamic Responsiveness

Aggregate, Volume 7, Issue 2, February 2026.
This work introduces a solvent hierarchy strategy that orthogonally integrates structural and adsorbed solvents to concurrently achieve stability and dynamicity in hydrogen‐bonded organic frameworks. High‐boiling DMSO provides structural integrity while adsorbed solvents enable reversible transformations, with the system's fluorescence response ...
Mengjiao Zhang, Xuan He, Shengyong Deng, Yadong Shi, Peifa Wei   +4 more
wiley   +1 more source