Results 81 to 90 of about 10,693 (226)

Unexpected chalcogen bonds in tetravalent sulfur compounds [PDF]

Physical Chemistry Chemical Physics, 2019
Combined CSD analysis and theoretical calculations show the importance of the polarizability in chalcogen bonding interactions. We provide evidence that the Lewis base has a preference in some cases for the σ-hole that is opposite to the more polarizable group instead of the more electron withdrawing one.
Antonio Franconetti, David Quiñonero, Antonio Frontera, Giuseppe Resnati   +3 more
openaire   +3 more sources

Heterointerface‑Enabled Electrocatalysis for Efficient Energy Conversion

Advanced Science, EarlyView.
Functionally distinct A/B materials can be integrated at the nanoscale to create customized heterointerfaces with tunable band alignment and charge redistribution, providing fast electron and ion transport channels as well as cooperative dual active sites.
Liuru Fang, Hsiwen Wu, Hengyue Xu, Jie Zhang   +3 more
wiley   +1 more source

Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene

, 2014
The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory.
Iyikanat, F., Peeters, F. M., Sahin, H., Senger, R. T.   +3 more
core   +2 more sources

Chalcogen bonding in the solid-state structures of 1,3-bis(benzimidazoliumyl)benzene-based chalcogen-bonding donors

Acta Crystallographica Section C Structural Chemistry, 2023
1,3-Bis(benzimidazoliumyl)benzene-based chalcogen-bonding catalysts were previously successfully applied in different benchmark reactions. In one of those examples, i.e. the activation of quinolines, sulfur- and selenium-based chalcogen-bonding catalysts showed comparable properties, which is unexpected, as the selenium-containing catalysts should show
Tim Steinke, Elric Engelage, Stefan M. Huber   +2 more
openaire   +2 more sources

Enhancing Li‐S Battery Performance Through Low‐Concentration Electrolytes with Organic Se/Te Co‐Additives to Address Solubility and Kinetic Challenges

Advanced Science, EarlyView.
This work presents a low‐concentration electrolyte enabled by hybrid organic Se/Te additives (DPDSe/DPDTe) that restructures solvation, boosts polysulfide dissolution, and provides dual‐site synergistic catalysis, delivering high capacity and stable cycling in Li–S coin and pouch cells, supporting high‐energy, high‐power operation.
Ruihua Li, Haiwei Wu, Hairu Wei, Wenhao Jia, Frederik Bettels, Leon Schenk, Zhihua Lin, Hanbin Liu, Guodong Liu, Zhijian Li, Lin Zhang   +10 more
wiley   +1 more source

Intra-/Intermolecular Bifurcated Chalcogen Bonding in Crystal Structure of Thiazole/Thiadiazole Derived Binuclear (Diaminocarbene)PdII Complexes

Crystals, 2018
The coupling of cis-[PdCl2(CNXyl)2] (Xyl = 2,6-Me2C6H3) with 4-phenylthiazol-2-amine in molar ratio 2:3 at RT in CH2Cl2 leads to binuclear (diaminocarbene)PdII complex 3c. The complex was characterized by HRESI+-MS, 1H NMR spectroscopy, and its structure
Alexander S. Mikherdov, Alexander S. Novikov, Mikhail A. Kinzhalov, Andrey A. Zolotarev, Vadim P. Boyarskiy   +4 more
doaj   +1 more source

The Copper(II)-Thiodiacetate (tda) Chelate as Efficient Receptor of N9-(2-Hydroxyethyl)Adenine (9heade): Synthesis, Molecular and Crystal Structures, Physical Properties and DFT Calculations of [Cu(tda)(9heade)(H₂O)]·2H₂O

Molecules, 2023
Considering that Cu(tda) chelate (tda: dithioacetate) is a receptor for adenine and related 6-aminopurines, this study reports on the synthesis, molecular and crystal structures, thermal stability, spectral properties and DFT calculations related to [Cu ...
Carmen Rosales-Martínez, Antonio Matilla-Hernádez, Duane Choquesillo-Lazarte, Antonio Frontera, Alfonso Castiñeiras, Juan Niclós-Gutiérrez   +5 more
doaj   +1 more source

Influence of copper on the electronic properties of amorphous chalcogenides

, 2005
We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in two-fold near-linear and four-fold square-planar configurations, which ...
A. Zakery, G. J. Adriaenssens, M. Elstner, N. N. Greenwood, S. I. Simdyankin, S. I. Simdyankin, S. R. Elliott, T. A. Niehaus, Th. Frauenheim   +8 more
core   +1 more source

Does Oxygen Feature Chalcogen Bonding? [PDF]

Molecules, 2019
Using the second-order Møller–Plesset perturbation theory (MP2), together with Dunning’s all-electron correlation consistent basis set aug-cc-pVTZ, we show that the covalently bound oxygen atom present in a series of 21 prototypical monomer molecules examined does conceive a positive (or a negative) σ-hole.
openaire   +3 more sources

Progress in Strain Engineering of 2D‐Integrated Heterostructures for Ultrasensitive Sensors

Advanced Science, EarlyView.
 . ABSTRACT Two‐dimensional (2D) integrated heterostructures have emerged as a cornerstone in the advancement of next‐generation sensor technologies. These heterostructures, which combine materials with different dimensionalities, have led to significant breakthroughs in sensing performance and device integration.
That Buu Ton, Tuan Sang Tran, Duc Khanh Tran, Van Thanh Dau, Dzung Viet Dao   +4 more
wiley   +1 more source