Results 81 to 90 of about 454,694 (225)

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Stacking Entropy of Hard Sphere Crystals

, 1998
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g.
A. D. Bruce, B. A. Berg, B. A. Berg, B. J. Alder, B. J. Alder, B. J. Alder, D. A. Young, D. Frenkel, D. Frenkel, David A. Huse, J. S. Dugdale, L. V. Woodcock, L. V. Woodcock, P. G. Bolhuis, P. N. Pusey, P. N. Pusey, R. J. Speedy, S.-E. Phan, Siun-Chuon Mau   +18 more
core   +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer, Mareen Stahlberger, Xiaojing Liu, Yi Luo, Niklas E. Häußermann, Puja Singhvi, Yidong Liu, Olaf Fuhr, Martin Nieger, Lars Heinke, Thomas Heine, Christof Wöll, Stefan Bräse   +12 more
wiley   +1 more source

1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzo[d][1,2,3]triazole

IUCrData, 2016
The title molecule, C23H20N6OS, adopts a cup-shaped conformation with the planes of the two benzene rings and the benzotriazole unit close to being parallel. The crystal packing features C—H...π(ring) and offset π–π stacking interactions.
Shaaban K. Mohamed, Elham A. Al-Taifi, Mehmet Akkurt, Joel T. Mague, Etify M. Bakhite   +4 more
doaj   +1 more source

Organic Electrochemical Transistor Channel Materials: Copolymerization Versus Physical Mixing of Glycolated and Alkoxylated Polymers

Advanced Functional Materials, EarlyView.
This work discusses the use of blended channel materials in OECTs. It explores how mixing glycolated and alkoxylated polymers in various ratios offers a simpler and more efficient route to tuning OECT properties. The performance of the polymer blends is compared to the corresponding copolymers, demonstrating similar OECT characteristics, swelling ...
Lize Bynens, Kaishuai Zhang, Priscila Cavassin, Arwin Goossens, Jochen Vanderspikken, Tania C. H. Castillo, Demetra Tsokkou, Adam Marks, Arianna Magni, Karrie Weaver, Laurence Lutsen, Sahika Inal, Koen Vandewal, Natalie Banerji, Wouter Maes   +14 more
wiley   +1 more source

A Comparative Theoretical Study of Picric Acid and Its Cocrystals

Crystals, 2015
A novel cocrystal of picric acid/acetophenone was prepared by solvent evaporation method and the crystal structure was characterized by single crystal X-ray diffraction. Analysis of the crystal structure shows that the hydrogen bonding, van der Waals and
Peng-Yuan Chen, Lin Zhang, Shun-Guan Zhu, Guang-Bin Cheng   +3 more
doaj   +1 more source

A Bayes interpretation of stacking for M-complete and M-open settings [PDF]

, 2016
In M-open problems where no true model can be conceptualized, it is common to back off from modeling and merely seek good prediction. Even in M-complete problems, taking a predictive approach can be very useful.
Clarke, Bertrand, Le, Tri
core   +2 more sources

Electronic and magnetic influences of a stacking fault in cobalt nanoscale islands on the Ag(111) surface

, 2015
Utilizing spin-polarized scanning tunneling microscopy and spectroscopy, we found coexistence of perpendicularly and in-plane magnetized cobalt nanoscale islands on the Ag(111) surface, and the relationship between the moire corrugation amplitude and the
Arafune, Ryuichi, Doi, Keiji, Hasegawa, Yukio, Minamitani, Emi, Watanabe, Satoshi, Yamamoto, Shunji, Yoshida, Yasuo   +6 more
core   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Pulling hairpinned polynucleotide chains: Does base-pair stacking interaction matter?

, 2001
Force-induced structural transitions both in relatively random and in designed single-stranded DNA (ssDNA) chains are studied theoretically. At high salt conditions, ssDNA forms compacted hairpin patterns stabilized by base-pairing and base-pair stacking
Haijun Zhou, Moroz J. D., Yang Zhang
core   +1 more source