MoC and TiC MXenes were investigated as earth-abundant electrocatalyts for the CO reduction reaction (CORR). MoC and TiC exhibited faradaic efficiencies of 90% (250 mV overpotential) and 65% (650 mV overpotential), respectively, for the reduction of CO to CO in acetonitrile using an ionic liquid electrolyte. The use of ionic liquid 1-ethyl-2-methylimidazolium tetrafluoroborate as an electrolyte in organic solvent suppressed the competing hydrogen evolution reaction. Density functional theory (DFT) calculations suggested that the catalytic active sites are oxygen vacancy sites on both MXene surfaces. Also, a spontaneous dissociation of adsorbed COOH species to a water molecule and adsorbed CO on MoC promote the CORR.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d0cc05822j | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Stability and reactivity of metal nanoclusters supported on transition metal carbides.
Nanoscale Adv
June 2023
Department of Chemical Engineering, University College London Roberts Building, Torrington Place London WC1E 7JE UK
Small particles of transition metals (TM) supported on transition metal carbides (TMC) - TM@TMC - provide a plethora of design opportunities for catalytic applications due to their highly exposed active centres, efficient atom utilisation and the physicochemical properties of the TMC support. To date, however, only a very small subset of TM@TMC catalysts have been tested experimentally and it is unclear which combinations may best catalyse which chemical reactions. Herein, we develop a high-throughput screening approach to catalyst design for supported nanoclusters based on density functional theory, and apply it to elucidate the stability and catalytic performance of all possible combinations between 7 monometallic nanoclusters (Rh, Pd, Pt, Au, Co, Ni and Cu) and 11 stable support surfaces of TMCs with 1 : 1 stoichiometry (TiC, ZrC, HfC, VC, NbC, TaC, MoC and WC) towards CH and CO conversion technologies.
View Article and Find Full Text PDFStructure and Oxidation Behavior of Multicomponent (Hf,Zr,Ti,Nb,Mo)C Carbide Ceramics.
Materials (Basel)
April 2023
Institute of Strength Physics and Materials Science SB RAS, 634055 Tomsk, Russia.
Multicomponent ceramics based on transition metals carbides are widely known for their excellent physicomechanical properties and thermal stability. The variation of the elemental composition of multicomponent ceramics provides the required properties. The present study examined the structure and oxidation behavior of (Hf,Zr,Ti,Nb,Mo)C ceramics.
View Article and Find Full Text PDFPhase controlled synthesis of transition metal carbide nanocrystals by ultrafast flash Joule heating.
Nat Commun
January 2022
Department of Chemistry, Rice University, Houston, TX, 77005, USA.
Nanoscale carbides enhance ultra-strong ceramics and show activity as high-performance catalysts. Traditional lengthy carburization methods for carbide syntheses usually result in coked surface, large particle size, and uncontrolled phase. Here, a flash Joule heating process is developed for ultrafast synthesis of carbide nanocrystals within 1 s.
View Article and Find Full Text PDFEffect of Chromium and Molybdenum Addition on the Microstructure of In Situ TiC-Reinforced Composite Surface Layers Fabricated on Ductile Cast Iron by Laser Alloying.
Materials (Basel)
December 2020
Department of Welding, Silesian University of Technology, Konarskiego 18A, 44-100 Gliwice, Poland.
In situ TiC-reinforced composite surface layers (TRLs) were produced on a ductile cast iron substrate by laser surface alloying (LA) using pure Ti powder and mixtures of Ti-Cr and Ti-Mo powders. During LA with pure Ti, the intensity of fluid flow in the molten pool, which determines the TRL's compositional uniformity, and thus Ti content in the alloyed zone, was directly affected by the fraction of synthesized TiC particles in the melt-with increasing the TiC fraction, the convection was gradually reduced. The introduction of additional Cr or Mo powders into the molten pool, due to their beneficial effect on the intensity of the molten pool convection, elevated the Ti concentration in the melt, and, thus, the TiC fraction in the TRL.
View Article and Find Full Text PDFActivation of Gold on Metal Carbides: Novel Catalysts for C1 Chemistry.
Front Chem
January 2020
Brookhaven National Laboratory, Department of Chemistry, Upton, NY, United States.
This article presents a review of recent uses of Au-carbide interfaces as catalysts for C1 Chemistry (CO oxidation, low-temperature water-gas shift, and CO hydrogenation). The results of density-functional calculations and photoemission point to important electronic perturbations when small two-dimensional clusters of gold are bounded to the (001) surface of various transition metal carbides (TiC, ZrC, VC, Ta C, and δ-MoC). On these surfaces, the C sites exhibited strong interactions with the gold clusters.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!