# Chem.

@article{2020Chem,
title={Chem.},
author={},
journal={Catalysis from A to Z},
year={2020}
}
• Published 16 April 2020
• Catalysis from A to Z
42,592 Citations
The impact of manganese substitution on the structure and properties of tetrahedrite
• Materials Science
Journal of Applied Physics
• 2019
The crystal structure of the tetrahedrites Cu12 − xMnxSb4S13 (x = 0, 1) has been studied by powder neutron diffraction between room temperature and 773 K. At all temperatures investigated, manganese
A study of the reactivity and transformations of Pd/NHC complexes in the reaction of oxidative C−H acetoxylation
• Chemistry
Russian Chemical Bulletin
• 2022
A comparative study of the reactivity and transformation and degradation pathways under conditions of the oxidative acetoxylation was carried out for various palladium complexes. The implementation
A force-based gradient descent method for $\mathit{\text{ab initio}}$ atomic structure relaxation
• Chemistry
• 2022
Force-based algorithms for ab initio atomic structure relaxation, such as conjugate gradient methods, usually get stuck in the line minimization processes along search directions, where expensive ab
Preparation and Thermoelectric Properties of Si-Doped Tetrahedrites Cu12Sb4-ySiyS13
• Materials Science
Korean Journal of Metals and Materials
• 2022
Si-doped Cu12Sb4-ySiyS13 (y = 0.1-0.4) compounds were prepared using solid-state synthesis. Each specimen consisted of a single tetrahedrite phase with a densely sintered body whose relative density
Electronic Transport Induced by Rotating Molecule in Molecular Devices
• Chemistry, Physics
Russian Journal of Physical Chemistry A
• 2022
We investigated the effect of rotation of molecule on electronic transport properties in redox-based molecule devices using density functional theory and non-equilibrium Green’s function. The devices
New Quartz And Zircon Si Isotopic Reference Materials For Precise And Accurate SIMS Isotopic Microanalysis
• Geology
Atomic Spectroscopy
• 2022
Here we report the Si isotope compositions of four potential reference materials, including one fused quartz glass (Glass-Qtz), one natural quartz (Qinghu-Qtz), and two natural zircons (Qinghu-Zir
Recent Advances in Layered Metal‐Oxide Cathodes for Application in Potassium‐Ion Batteries
• Materials Science