A1 Journal article (refereed)
Stability limits of elemental 2D metals in graphene pores (2019)

Nevalaita, J., & Koskinen, P. (2019). Stability limits of elemental 2D metals in graphene pores. Nanoscale, 11(45), 22019-22024. https://doi.org/10.1039/C9NR08533E

JYU authors or editors

Nevalaita, Janne
Koskinen, Pekka

Publication details

All authors or editors: Nevalaita, Janne; Koskinen, Pekka

Journal or series: Nanoscale

ISSN: 2040-3364

eISSN: 2040-3372

Publication year: 2019

Volume: 11

Issue number: 45

Pages range: 22019-22024

Publisher: Royal Society of Chemistry

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1039/C9NR08533E

Publication open access: Openly available

Publication channel open access: Partially open access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/66517

Abstract

Two-dimensional (2D) materials can be used as stabilizing templates for exotic nanostructures, including pore-stabilized, free-standing patches of elemental metal monolayers. Although these patches represent metal clusters under extreme conditions and are thus bound for investigations, they are poorly understood as their energetic stability trends and the most promising elements remain unknown. Here, using density-functional theory simulations and the liquid drop model to explore the properties of 45 elemental metal candidates, we identify metals that enable the largest and most stable patches. Simulations show that pores can stabilize patches up to ∼8 nm2 areas and that the most prominent candidate in a graphene template is Cu. The results, which are generalizable to templates also beyond graphene, provide encouragement for further, even more resolute experimental pursuit of 2D metals.

Keywords: nanostructures; graphene; metals; density functional theory

Free keywords: stability limits; elemental 2D metals; graphene pores

Fields of science: