journal={Catalysis from A to Z},
  • Published 16 April 2020
  • Catalysis from A to Z
The impact of manganese substitution on the structure and properties of tetrahedrite
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
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
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
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
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
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
To meet future energy demands, currently, dominant lithium‐ion batteries (LIBs) must be supported by abundant and cost‐effective alternative battery materials. Potassium‐ion batteries (KIBs) are
Effect of visible light onto self-assembly in l-cysteine-silver solution
Effects of irradiation with visible light on the process of self-assembly in an aqueous l-cysteine-silver solution (CSS) and hydrogels based on were investigated using a set of physico-chemical
Emerging Materials and Designs for Low‐ and Multi‐Band Electromagnetic Wave Absorbers: The Search for Dielectric and Magnetic Synergy?
Vigorous development of 5G communication technologies can boost mobile networks yet bring in electromagnetic interferences and safety concerns in utilizing electronic devices. Particularly, 5G