Effect of surface steps on chemical ordering in the subsurface of Cu(Au) solid solutions

Li, Kuo; Zhang, Siming; Wu, Dazhuan; Luo, Langli; Sun, Xianhu; Chen, Xiaobo; Zakharov, Dmitri N.; Cheng, Shaobo; Zhu, Yimei; Yang, Judith C.; Wang, Guofeng; Zhou, Guangwen

doi:10.1103/physrevb.103.035401

Cited by 7 publications

(1 citation statement)

References 53 publications

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“…In contrast, the Au-rich structures can accommodate the smaller Cu layers, and form the L1 0 structure. More recently, the surface morphology of Cu-Au solid solutions and Cu 3 Au(100) have been investigated by Liu et al [15] and Li et al [16], respectively.…”

Section: Introductionmentioning

confidence: 99%

Finding the stable structures of 2D hexagonal materials with Bayesian optimization: Beyond the structural relationship with 3D crystals in weakly-bonded binary systems

Ono¹

2022

Preprint

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The graphene-graphite relationship in structural geometry is a basic principle to predict novel two-dimensional (2D) materials. Here, we demonstrate that this is not the case in binary metallic systems. We use the Bayesian optimization framework combined with the density-functional theory approach to determine the stable configuration of atomic species on a hexagonal plane. We show that the optimized structure of 2D Cu-Au exhibits the hexagonal lattice of a hexagonal ring of Cu atoms containing one Au atom, where the number of the Cu atoms is larger than that of the Au atoms in the unit cell, which is difficult to speculate from the atomic distribution of CuAu in the L10 structure. We also show that 2D Cu-X with X = Be, Zn, and Pd have hexagonal or elongated rings containing different atoms in the unit cell. Based on the binary Lennard-Jones model, we propose that such structures can appear for weakly-bonded systems located in between the phase-separated and strongly-bonded systems with the interatomic interaction energy between different species.

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Section: Introductionmentioning

confidence: 99%

Finding the stable structures of 2D hexagonal materials with Bayesian optimization: Beyond the structural relationship with 3D crystals in weakly-bonded binary systems

Ono¹

2022

Preprint

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Formation of CuO whiskers and facet-controlled oxidation during the oxidation of Au-Cu nanoparticles fabricated by solid-state dewetting

Tan

Flock

et al. 2023

Applied Surface Science

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Enhancing Stability of Surface Au under Oxidizing Conditions through Reduced Bulk Au Content

Wang,

Chen,

et al. 2024

J. Phys. Chem. Lett.

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Contrary to the common assumption that a higher bulk content of precious metals facilitates the preservation of more surface noble metal by serving as a reservoir for surface enrichment, we demonstrate that a lower bulk content of Au results in a more stable arrangement of Au atoms at the surface of Cu−Au nanoparticles when exposed to an O 2 atmosphere. Using ambient pressure X-ray photoelectron spectroscopy, we investigate the surface segregation and oxidation behavior of Cu−Au nanoparticles across various compositions. Our results reveal that in Au-rich nanoparticles exposed to an H 2 atmosphere, surface segregation prompts the formation of a continuous Au-enriched shell, which subsequently oxidizes into a complete CuO x shell upon transitioning to an O 2 atmosphere. Conversely, in Au-poor nanoparticles during H 2 treatment, segregation results in the emergence of Au clusters embedded within the surface layer, persisting upon exposure to O 2 . This unexpected phenomenon shows that reducing the bulk content of precious metals can enhance the surface stability of noble atoms under oxidizing conditions, as further demonstrated by comparing the catalytic performance of Cu−Au nanoparticles with varying Au bulk contents in CO oxidation.

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Effect of surface steps on chemical ordering in the subsurface of Cu(Au) solid solutions

Cited by 7 publications

References 53 publications

Finding the stable structures of 2D hexagonal materials with Bayesian optimization: Beyond the structural relationship with 3D crystals in weakly-bonded binary systems

Finding the stable structures of 2D hexagonal materials with Bayesian optimization: Beyond the structural relationship with 3D crystals in weakly-bonded binary systems

Formation of CuO whiskers and facet-controlled oxidation during the oxidation of Au-Cu nanoparticles fabricated by solid-state dewetting

Enhancing Stability of Surface Au under Oxidizing Conditions through Reduced Bulk Au Content

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