The properties of single metal atoms adsorbed on MoS2 monolayer surface as well as the behaviour of CO2 molecules on these active sites are studied by using density functional theory methods. Eleven different types of transition metals (Au, Co, Cr, Cu, Fe, Ir, Mn, Ni, Pd, Pt or Sn) ...
section views of Co nanodisks-MoS2that there is a well-defined covalently bounded interface between the counterparts. Using the SA Co-D 1T MoS2(Co atom was coordinated with three adjacent sulfur atoms, and located at the site directly above the center Mo atom) as a model, we also simulated...
1T-MoS2and single-atom modified analogues represent a highly promising class of low-cost catalysts for hydrogen evolution reaction (HER). However, the role of single atoms, either as active species or promoters, remains vague despite its essentiality toward more efficient HER. In this work, we r...
Herein, a single‐atom Ru supported on MoS2 (SA‐Ru‐MoS2) electrocatalyst for the hydrogen evolution reaction (HER) is reported. Results indicate that single‐atom Ru doping induces phase transition of MoS2 and generation of S vacancies, which significantly improve the performance of inert 2D ...
Design of active dual atom Ni-Co-2H-MoS2 catalyst:Synergistic effect of Ni-adsorption and co-catalysis for activating peroxymonosulfate Peroxymonosulfate(PMS)-based advanced oxidation processes synergistically activated by dual atom catalysts(DACs) have become a cutting-edge technology for ... X Song...
Rational design of MoS2-supported Cu single-atom catalysts by machine learning potential for enhanced peroxidase-like activity Two-dimensional molybdenum disulfide (2D-MoS2)-supported single atom nanomaterials with enhanced enzyme-like activities are potential substitutes for natural enzymes due to their hug...
Y. Pocket-like active site of Rh1/MoS2 single-atom catalyst for selective crotonaldehyde hydrogenation. J. Am. Chem. Soc. 2019, 141, 19289–19295. Article CAS Google Scholar Li, B. B., Ju, Z. F., Zhou, M., Su, K. Z., Yuan, D. Q. A reusable MOF-supported single-site zinc...
Alpha-glucosidase(α-Glu)is a hydrolase that promotes the rise of glucose in the blood during the digestion process,and it plays a crucial role in regulating glucose levels within a normal range.Herein,we developed an ultrasensitive colorimetric platform by preparing a Cu-N-C single-atom nanozyme...
This reduced energy gap of the system could be account based on the fact that the introduction of the S atom brough about a corresponding decreasing in the energy of the HOMO and LUMO. Another point could be that the incorporation of silicon due its unique electronic haviour, its ...
et al. Chemically activating MoS2 via spontaneous atomic palladium interfacial doping towards efficient hydrogen evolution. Nat. Commun. 9, 2120 (2018). 36. Hai, X. et al. Scalable two-step annealing method for preparing ultra-high-density single-atom catalyst libraries. Nat. Nanotechnol. 17, ...