Results 91 to 100 of about 299,162 (292)

catena-Poly[[trimethyltin(IV)]-μ-[(E)-2-methyl-3-(3-methylphenyl)acrylato-κ2O:O′]]

Acta Crystallographica Section E, 2008
The title trimethyltin(IV) carboxylate, [Sn(CH3)3(C11H11O2)]n, is a carboxylate-bridged polymer in which the Sn atom exists in a trans-C3SnO2 trigonal bipyramidal coordination.
Niaz Muhammad, M. Nawaz Tahir, Saqib Ali, Zia-ur-Rehman   +3 more
doaj   +1 more source

The third orthogonal dynamic covalent bond

Chemical Science, 2016
The existence of three fully orthogonal dynamic covalent bonds is demonstrated in solution and in functional surface architectures.
Inés Lascano, Kang-Da Zhang, Robin Wehlauch, Karl Gademann, Naomi Sakai, Stefan Matile   +5 more
openaire   +7 more sources

Extension of the B3LYP - Dispersion-Correcting Potential Approach to the Accurate Treatment of both Inter- and Intramolecular Interactions

, 2013
We recently showed that dispersion-correcting potentials (DCPs), atom-centered Gaussian-type functions developed for use with B3LYP (J. Phys. Chem. Lett.
DiLabio, Gino A., Koleini, Mohammad, Torres, Edmanuel   +2 more
core   +1 more source

Quantum Emitters in Hexagonal Boron Nitride: Principles, Engineering and Applications

Advanced Functional Materials, EarlyView.
Quantum emitters in hexagonal boron nitride have emerged as a promising candidate for quantum information science. This review examines the fundamentals of these quantum emitters, including their level structures, defect engineering, and their possible chemical structures.
Thi Ngoc Anh Mai, Md Shakhawath Hossain, Nhat Minh Nguyen, Yongliang Chen, Chaohao Chen, Xiaoxue Xu, Quang Thang Trinh, Toan Dinh, Toan Trong Tran   +8 more
wiley   +1 more source

Synchrotron Radiation for Quantum Technology

Advanced Functional Materials, EarlyView.
Materials and interfaces underpin quantum technologies, with synchrotron and FEL methods key to understanding and optimizing them. Advances span superconducting and semiconducting qubits, 2D materials, and topological systems, where strain, defects, and interfaces govern performance.
Oliver Rader, Sakura Pascarelli, Klaus Attenkofer, Anna A. Makarova, Karsten Holldack, Kai Rossnagel, Kristiaan Temst, George Kourousias, Stefano Carretta, Caterina Biscari, Helmut Dosch   +10 more
wiley   +1 more source

Unlocking Ultra‐Long Cycle Stability of Li Metal Electrode by Separators Modified by Porous Red Phosphorus Nanosheets

Advanced Functional Materials, EarlyView.
Coating the standard polypropylene separator with a porous red phosphorous nanosheet greatly improves cycling performance in Li electrode cells. The phosphorus‐based surface chemistry deactivates electrolyte solvent decomposition and enhances the cleavage of F‐containing salt, resulting in an inorganic‐dominated electrolyte interphase (SEI) composition
Jiangpeng Wang, Mingzi Sun, Feng Lang, Zhijun Cai, Xitao Hu, Yao Gao, Chao Lin, Xueqiang Zhang, Bolong Huang, Quan Li   +9 more
wiley   +1 more source

How Do the Surroundings of the C-NO₂ Fragment Affect the Mechanical Sensitivity of Trinitroaromatic Molecules? Evidence from Crystal Structures and Ab Initio Calculations

Crystals
The dissociation of the C-NO2 bond is the initial step in the process of the detonation of nitroaromatic explosives. The strength of the C-NO2 bond is significantly influenced by the relative position of the nitro group with respect to the aromatic ring ...
Danijela S. Kretić, Aleksandra B. Đunović, Dragan B. Ninković, Dušan Ž. Veljković   +3 more
doaj   +1 more source

Cu‐Based MOF/TiO2 Composite Nanomaterials for Photocatalytic Hydrogen Generation and the Role of Copper

Advanced Functional Materials, EarlyView.
HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan, Marie Le Pivert, Alireza Ranjbari, Diana Dragoe, Daniel Bahena‐Uribe, Christophe Colbeau‐Justin, Christian Herrero, Dorota Rutkowska‐Zbik, Johnny Deschamps, Hynd Remita   +9 more
wiley   +1 more source

Atomic and molecular structures of positronium, dipositronium and positronium hydride [PDF]

, 2011
The three positron based chemical entities, analogous to hydrogen atom, hydrogen molecule and hydride, are drawing increasing attention in the literature. While a lot is known about the binding energies, not much is known about the radii of the atoms and
Raji Heyrovska
core   +1 more source

Atomic Size Misfit for Electrocatalytic Small Molecule Activation

Advanced Functional Materials, EarlyView.
This review explores the application and mechanisms of atomic size misfit in catalysis for small molecule activation, focusing on how structural defects and electronic properties can effectively lower the energy barriers of chemical bonds in molecules like H2O, CO2, and N2.
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source