Results 71 to 80 of about 226,730 (296)

(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile

Acta Crystallographica Section E, 2014
The molecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intramolecular C—H...N hydrogen bond is noted.
Shaaban K. Mohamed, Mehmet Akkurt, Benson M. Kariuki, Ali M. Ali, Mustafa R. Albayati   +4 more
doaj   +1 more source

Interlayer electronic hybridization leads to exceptional thickness-dependent vibrational properties in few-layer black phosphorus

, 2015
Stacking two-dimensional (2D) materials into multi-layers or heterostructures, known as van der Waals (vdW) epitaxy, is an essential degree of freedom for tuning their properties on demand.
Hu, Zhi-Xin, Ji, Wei, Kong, Xianghua, Normand, Bruce, Qiao, Jingsi   +4 more
core   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

Moir\'e pattern interlayer potentials in van der Waals materials from random-phase approximation calculations

, 2017
Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two dimensional material assemblies where long-range moir\'e patterns arise due to small lattice constant mismatch or ...
Gould, Tim, Jung, Jeil, Lebègue, Sébastien, Leconte, Nicolas   +3 more
core   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

10-Methyl-9,11-annulated dibenzobarrelene

IUCrData, 2018
In the title compound (systematic name: 8-methyl-16-oxapentacyclo[6.6.5.01,18.02,7.09,14]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one), C19H14O2, the benzene rings form a dihedral angle of 64.84 (7)°.
Tomson Devassia, Eason M. Mathew, M. Sithambaresan, P. A. Unnikrishnan, M. R. Prathapachandra Kurup   +4 more
doaj   +1 more source

Self-assembly of short DNA duplexes: from a coarse-grained model to experiments through a theoretical link

, 2012
Short blunt-ended DNA duplexes comprising 6 to 20 base pairs self-assemble into polydisperse semi-flexible chains due to hydrophobic stacking interactions between terminal base pairs.
Bellini, Tommaso, De Michele, Cristiano, Rovigatti, Lorenzo, Sciortino, Francesco   +3 more
core   +1 more source

Selective Benzene Capture by Metal‐Organic Frameworks

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) hold significant potential for capturing benzene from air emissions and hydrocarbon mixtures in liquid phases. This capability stems from their precisely engineered structures, versatile chemistries, and diverse binding interactions.
Zongsu Han, Ankit Mondal, Jiatong Huo, Yihao Yang, Hong‐Cai Zhou   +4 more
wiley   +1 more source

Anisotropic Dynamic Disorder of π‐Stacking and Static Disorder in Organic Electron Transporting Materials with Isomorphic Crystal Structures

Small Structures
In organic semiconductors, charge transport is strongly correlated with intermolecular π–π interactions and the dynamic disorder caused by solid‐state phonon vibrations.
Chae‐Won Lee, Uros Puc, Jeong Hyeon Lee, Na Young Cho, Jong Bum Lee, Yun‐Sang Lee, Jin Chul Kim, Woojin Yoon, Hoseop Yun, Seokhoon Jang, Youngu Lee, Jong H. Kim, Sang Kyu Kwak, Mojca Jazbinsek, O‐Pil Kwon   +14 more
doaj   +1 more source

The Role of Coulomb Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand

Crystals, 2016
To investigate the π-extension effect on an unusual negative-charged spin crossover (SCO) FeIII complex with a weak N2O4 first coordination sphere, we designed and synthesized a series of anionic FeIII complexes from a π-extended naphthalene derivative ...
Suguru Murata, Kazuyuki Takahashi, Takahiro Sakurai, Hitoshi Ohta, Takashi Yamamoto, Yasuaki Einaga, Yoshihito Shiota, Kazunari Yoshizawa   +7 more
doaj   +1 more source