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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Advanced Science

ISSN

2198-3844

e-ISSN

2198-3844

Svazek periodika

12

Číslo periodika v rámci svazku

47

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

e08262

Kód UT WoS článku

001614369800001

EID výsledku v databázi Scopus

2-s2.0-105021805405