Atomistic mechanisms of the initial oxidation of stepped Cu3Au(100)

Zhu, Yaguang; Wu, Dongxiang; Li, Chaoran; Tong, Xiao; Boscoboinik, J. Anibal; Sadowski, Jerzy T.; Zhou, Guangwen

doi:10.1103/physrevb.105.075422

Title: Atomistic mechanisms of the initial oxidation of stepped Cu₃Au(100)

Journal Article · 21 February 2022 · Physical Review. B

DOI: https://doi.org/10.1103/physrevb.105.075422 · OSTI ID:1856773

Zhu, Yaguang ^[1]; Wu, Dongxiang ^[1]; Li, Chaoran ^[1]; Tong, Xiao ^[2]; Boscoboinik, J. Anibal ^[2];

^[2];

^[1]

State Univ. of New York (SUNY), Binghamton, NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States). Center for Functional Nanomaterials (CFN)

Alloy oxidation is complex and involves several critical processes that lack understanding on the atomic level. Here, we report an atomistic picture of the initial-stage oxidation of stepped Cu₃Au(100) using a combination of surface science tools and modeling to illuminate the microscopic processes underlying oxygen-adsorption-induced structural and compositional changes. Pristine Cu₃Au(100) consists of wide CuAu-terminated terraces and narrow Cu-terminated terraces separated by monatomic steps. Counterintuitive to the common expectations of the adsorbate-induced surface segregation of the more reactive alloy component, our observations demonstrate that the oxygen adsorption leads to the exfoliation of the outermost CuAu layer, thereby exposing the inner Cu plane to O attack. This occurs via the oxygen-assisted abstraction of Au and Cu atoms from step edges and CuAu terraces, which generates many Cu adatoms aggregating into Cu clusters and Au adatoms dissolving into the bulk. The oxygen adsorption onto fourfold hollow sites of the exposed Cu plane results in nucleation and growth of the c(2×2)-O superstructure, which can be fit well by the Johnson-Mehl-Avrami-Kolmogorov theory with a site-saturated nucleation mechanism.

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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:: SC0012704

OSTI ID:: 1856773

Report Number(s):: BNL-222882-2022-JAAM

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 7 Vol. 105; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Atomistic mechanisms of the initial oxidation of stepped Cu₃Au(100)