Catalytic reduction of N2O over Si-embedded MoS2 monolayer: A single-atom catalyst approach

TL;DR: In this article, the authors review the preparation, characterization, anchoring strategies and electrochemical applications of single-atom catalysts and present four anchoring strategy: defect engineering, atom coordination, spatial confinement and sacrifice template.

TL;DR: In this paper, the spin polarized density functional theory calculations were used to investigate the possible action of the Si-coordinated nitrogen doped (Si@C54N4) fullerene as potent catalyst for N2O reduction and CO oxidation.

TL;DR: In this article, a new heterojunction film which own MoS2 as the sub-layer and porphyrin (meso-[5]-4-methyloxycarbonyl)phenyl][10,15,20-tri[4-tert-butylphenyl]]porphyrin, Por) as the top-lay has been fabricated and characterized.

TL;DR: In this paper, the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids is described and the method for calculating semilocal pseudopotential matrix elements and basis functions are detailed together with other unpublished parts of the methodology pertaining to gradient functionals and local orbital basis sets.

TL;DR: The DFT‐D‐BLYP model seems to be even superior to standard MP2 treatments that systematically overbind, and the approach is suggested as a practical tool to describe the properties of many important van der Waals systems in chemistry.

TL;DR: In this paper, the ozone depletion potential-weighted anthropogenic emissions of N2O with those of other ozone-depleting substances were compared, and it was shown that N 2O emission currently is the single most important ozone-destroying emission and is expected to remain the largest throughout the 21st century.

TL;DR: It is demonstrated that light amplification is possible using silicon itself, in the form of quantum dots dispersed in a silicon dioxide matrix, which opens a route to the fabrication of a silicon laser.