Self-Inhibition Phenomena in Cu3Pt Oxidation by CO2

Wang, Jianyu; Patel, Shyam; Boscoboinik, Jorge Anibal; Hunt, Adrian; Waluyo, Iradwikanari; Zhou, Guangwen

doi:10.1021/acs.jpclett.4c02218

Title: Self-Inhibition Phenomena in Cu₃Pt Oxidation by CO₂

Journal Article · 07 October 2024 · Journal of Physical Chemistry Letters

DOI: https://doi.org/10.1021/acs.jpclett.4c02218 · OSTI ID:2480272

Wang, Jianyu ^[1]; Patel, Shyam ^[1];

^[2];

^[3];

^[1]

State Univ. of New York (SUNY), Binghamton, NY (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

Here, this study investigates the oxidation behavior of Cu₃Pt(100) in CO₂ using a combination of ambient-pressure X-ray photoelectron spectroscopy, mass spectroscopy, and density functional theory modeling. Our in situ measurements reveal the simultaneous oxidation and reduction of Cu₂O due to the opposing effects of atomic oxygen and CO generated from dissociative CO₂ adsorption, leading to a dynamic equilibrium state of simultaneously occurring redox reactions. Complementary atomistic calculations elucidate the inhibitory effects of subsurface Pt enrichment and the counteracting roles of CO₂ and CO in surface oxidation and reduction. These results provide mechanistic insights into the dissociative pathway of CO₂ molecules and dynamic evolution of surface composition and reactivity of Cu-based alloy catalysts in CO₂-rich environments, with broader implications for tuning gas–surface reactions by manipulating gas reactants or solid surface composition.

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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). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0001135; SC0012704

OSTI ID:: 2480272

Report Number(s):: BNL--226391-2024-JAAM

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 41 Vol. 15; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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