Theoretical perspective on CO oxidation over small cobalt oxide clusters

R Molavi, R Safaiee, MH Sheikhi, N Hassani - Chemical Physics Letters, 2021 - Elsevier
In this work, CO oxidation on oxidized cobalt oxide clusters, ie, C o O nO 2 (n= 2, 3, 4) and
(Co 3 O 4) nO 2 (n= 1, 2) are studied using density functional theory calculations. CO …

Oxidation reactions on neutral cobalt oxide clusters: experimental and theoretical studies

Y Xie, F Dong, S Heinbuch, JJ Rocca… - Physical Chemistry …, 2010 - pubs.rsc.org
Reactions of neutral cobalt oxide clusters (ComOn, m= 3–9, n= 3–13) with CO, NO, C2H2,
and C2H4 in a fast flow reactor are investigated by time of flight mass spectrometry …

Influence of stoichiometry and charge state on the structure and reactivity of cobalt oxide clusters with CO

GE Johnson, JU Reveles, NM Reilly… - The Journal of …, 2008 - ACS Publications
Cationic and anionic cobalt oxide clusters, generated by laser vaporization, were studied
using guided-ion-beam mass spectrometry to obtain insight into their structure and reactivity …

Catalytic CO oxidation by gas-phase metal oxide clusters

XN Li, LN Wang, LH Mou, SG He - The Journal of Physical …, 2019 - ACS Publications
Oxidation of CO into CO2 is a prototypical reaction in heterogeneous catalysis and is one of
the extensively studied reactions in the gas phase to explore the underlying mechanisms of …

Experimental and Theoretical Study of the Reactions between Cerium Oxide Cluster Anions and Carbon Monoxide: Size-Dependent Reactivity of CenO2n+1 (n …

XN Wu, XL Ding, SM Bai, B Xu, SG He… - The Journal of Physical …, 2011 - ACS Publications
Reactions of cerium oxide cluster anions with carbon monoxide are investigated by time-of-
flight mass spectrometry and density functional theory computations aided with molecular …

Novel mechanism for oxidation of CO by Fe2O3 clusters

BV Reddy, F Rasouli, MR Hajaligol, SN Khanna - Fuel, 2004 - Elsevier
The oxidation of CO by Fe2O3 clusters has been studied using a first principles gradient
corrected density functional approach. It is shown that the direct oxidation of CO via surface …

Role of H2O Adsorption in CO Oxidation over Cerium-Oxide Cluster Anions (CeO2)nO (n = 1–4)

JJ Chen, SD Wang, XL Ding, SG He - The Journal of Physical …, 2024 - ACS Publications
Water (H2O) is ubiquitous in the environment and inevitably participates in many surface
reactions, including CO oxidation. Acquiring a fundamental understanding of the roles of …

Recent research progress in the study of catalytic CO oxidation by gas phase atomic clusters

LN Wang, XN Li, SG He - Science China Materials, 2020 - Springer
Oxidation of CO into CO 2 is a major solution to reduce CO emission into the atmosphere
and to remove CO in fuel gas cleanup. Furthermore, CO oxidation serves as a prototypical …

Reactivity trends in the oxidation of CO by anionic transition metal oxide clusters

JU Reveles, GE Johnson, SN Khanna… - The Journal of …, 2010 - ACS Publications
Evidence obtained by experiments in the gas phase and density functional theory
calculations indicates that differences in the CO binding energy to the transition metal site …

Generation and reactivity of putative support systems, Ce-Al neutral binary oxide nanoclusters: CO oxidation and C–H bond activation

ZC Wang, S Yin, ER Bernstein - The Journal of Chemical Physics, 2013 - pubs.aip.org
Both ceria (CeO 2) and alumina (Al 2 O 3) are very important catalyst support materials.
Neutral binary oxide nanoclusters (NBONCs), Ce x Al y O z, are generated and detected in …