ArticleScience advances2022
Origin of the herringbone reconstruction of Au(111) surface at the atomic scale.
Article in Science advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Observation of stick-slip behavior with structural superlubric characteristics.Nature communications · 2026Article
- Atomistic Simulations of Fe(CO)The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- Large-Area Atomically Flat Monocrystalline Gold Flakes: Recent Advances, Applications, and Future Potential.Small (Weinheim an der Bergstrasse, Germany) · 2026Review
- Intermediates of forming transition metal dichalcogenide heterostructures revealed by machine learning simulations.Nature communications · 2026Article
- Insight into the Ehrlich-Schwoebel barrier via three-dimensional atomic force microscopy mapping of surface potentials on Au (111).Communications materials · 2026Article
- Structure Formation in the Wetting Layer of a Carbonyl-Functionalized Ionic Liquid on Au(111): How to Control the Functional Group?Chemphyschem : a European journal of chemical physics and physical chemistry · 2025Article
- An organic array of quantum corrals modulated by the gold herringbone electronic superlattice.Nanoscale · 2025Article
- Semiconductor-to-metal surface reconstruction in copper selenide/copper heterostructures steered by photoinduced interlayer atom migration.Nature communications · 2025Article
- In Situ STM Study of Roughening of Au(111) Single-Crystal Electrode in Sulfuric Acid Solution during Oxidation-Reduction Cycles.The journal of physical chemistry. C, Nanomaterials and interfaces · 2024Article
- Computational Design of Catalysts with Experimental Validation: Recent Successes, Effective Strategies, and Pitfalls.The journal of physical chemistry. C, Nanomaterials and interfaces · 2024Review
- Evaluation of electrodeposition synthesis of gold nanodendrite on screen-printed carbon electrode for nonenzymatic ascorbic acid sensor.Scientific reports · 2024Article
- Gold oxide formation on Au(111) under CO oxidation conditions at room temperature.Physical chemistry chemical physics : PCCP · 2024Article
- Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields.Nature communications · 2024Article
- Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces.Journal of the American Chemical Society · 2024Article
- Realization of large-area ultraflat chiral blue phosphorene.Nature communications · 2024Article
- Article
- Synthesis of Self-Assembled Single Atomic Layer Gold Crystals-Goldene.ACS applied materials & interfaces · 2022Article
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Authors and funding
2 authors.
Funding
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Abstract
The origin of the herringbone reconstruction on Au(111) surface has never been explained properly at the atomic level because the large periodic length (~30 nm) does not allow ab initio simulations of the system and because of the lack of highly accurate empirical force field. We trained a machine learning force field with high accuracy to explore this reconstruction. Our study shows that the lattice deformation in Au deeper layers, which allows the effective relaxation of the densified and anisotropic top layer lattice, is critical for the herringbone reconstruction. The herringbone reconstruction is energetically more favorable than the stripe reconstruction only if the slab thickness exceeds 12 atomic layers. Furthermore, we reveal the high stability of herringbone reconstruction at high temperatures and that a slight strain of about ±0.2% can induce a transition from the herringbone pattern to the stripe pattern, and both agree well with the experimental observations.
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