Complex catalytic behaviors of CuTiOx mixed-oxide during CO oxidation

Kim, Hyun You; Liu, Ping

doi:10.1021/acs.jpcc.5b07099

Title: Complex catalytic behaviors of CuTiO_x mixed-oxide during CO oxidation

Journal Article · Mon Sep 21 00:00:00 EDT 2015 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.5b07099· OSTI ID:1224192

Kim, Hyun You ^[1]; Liu, Ping ^[2]

Chungnam National Univ., Daejeon (Korea); Brookhaven National Lab. (BNL), Upton, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Mixed metal oxides have attracted considerable attention in heterogeneous catalysis due to the unique stability, reactivity, and selectivity. Here, the activity and stability of the CuTiO_x monolayer film supported on Cu(111), CuTiO_x/Cu(111), during CO oxidation was explored using density functional theory (DFT). The unique structural frame of CuTiO_x is able to stabilize and isolate a single Cu⁺ site on the terrace, which is previously proposed active for CO oxidation. Furthermore, it is not the case, where the reaction via both the Langmuir–Hinshelwood (LH) and the Mars-van Krevelen (M-vK) mechanisms are hindered on such single Cu⁺ site. Upon the formation of step-edges, the synergy among Cu^δ+ sites, TiO_x matrix, and Cu(111) is able to catalyze the reaction well. Depending on temperatures and partial pressure of CO and O₂, the surface structure varies, which determines the dominant mechanism. In accordance with our results, the Cu^δ+ ion alone does not work well for CO oxidation in the form of single sites, while the synergy among multiple active sites is necessary to facilitate the reaction.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704

OSTI ID:: 1224192

Report Number(s):: BNL-108461-2015-JA; R&D Project: 16068; KC0403020

Journal Information:: Journal of Physical Chemistry. C, Vol. 119, Issue 40; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 15 works

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Interface engineering for a rational design of poison-free bimetallic CO oxidation catalysts Shin, Kihyun; Zhang, Liang; An, Hyesung Nanoscale, Vol. 9, Issue 16 https://doi.org/10.1039/c7nr01382e	journal	January 2017
Effect of Ce Doping on Catalytic Performance of Cu/TiO2 for CO Oxidation Li, Chaoqun; Yang, Yang; Ren, Wei Catalysis Letters, Vol. 150, Issue 7 https://doi.org/10.1007/s10562-020-03130-1	journal	February 2020
A Study of Low-Temperature CO Oxidation over Mesoporous CuO-TiO2 Nanotube Catalysts Zedan, Abdallah; Allam, Nageh; AlQaradawi, Siham Catalysts, Vol. 7, Issue 12 https://doi.org/10.3390/catal7050129	journal	April 2017

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Related Subjects

30 DIRECT ENERGY CONVERSION
CO oxidation
CuTiOx
mechanism
mixed oxide
DFT

Title: Complex catalytic behaviors of CuTiOx mixed-oxide during CO oxidation

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Title: Complex catalytic behaviors of CuTiO_x mixed-oxide during CO oxidation