Coverage-dependent structural evolution of CoBr2 at the Au(111) interface

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00643495" target="_blank" >RIV/68378271:_____/25:00643495 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0373433" target="_blank" >https://hdl.handle.net/11104/0373433</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/advs.202508262" target="_blank" >10.1002/advs.202508262</a>

Result language
angličtina
Original language name
Coverage-dependent structural evolution of CoBr2 at the Au(111) interface
Original language description
Unraveling the growth mechanism of van der Waals materials is crucial for their device implementation, as this improves the overall film quality, allowing precise control of their electronic and magnetic properties in nanoscale applications. The initial structure formed on the substrate during growth is often assumed to be bulk-like, thereby neglecting the role of the surface in the assembly. Here, the coverage–dependent growth of CoBr2 on Au(111) from a stoichiometric molecular powder is studied using a combination of experimental techniques, machine–learning-driven molecular dynamics simulations and density functional theory calculations. It is found that CoBr2 molecules initially form a molecular precursor phase characterized by three-molecule clusters arranged in a surface–stabilized structure with long-range order and a periodic coincidence with Au(111). As the surface coverage is increased, this phase subsequently undergoes a transition to form the equilibrium van der Waals crystal layered structure observed for the bulk material. These findings challenge conventional views of direct van der Waals layer formation and provide new insight into the role of the substrate during the growth process.n
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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