A1 Journal article (refereed)
Gentle tension stabilizes atomically thin metallenes (2024)


Abidi, K. R., & Koskinen, P. (2024). Gentle tension stabilizes atomically thin metallenes. Nanoscale, Early online. https://doi.org/10.1039/d4nr03266g


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Publication details

All authors or editorsAbidi, Kameyab Raza; Koskinen, Pekka

Journal or seriesNanoscale

ISSN2040-3364

eISSN2040-3372

Publication year2024

Publication date01/10/2024

VolumeEarly online

PublisherRoyal Society of Chemistry

Publication countryUnited Kingdom

Publication languageEnglish

DOIhttps://doi.org/10.1039/d4nr03266g

Publication open accessOpenly available

Publication channel open accessPartially open access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/97497

Additional informationCommunication


Abstract

Metallenes are atomically thin two-dimensional (2D) materials lacking a layered structure in the bulk form. They can be stabilized by nanoscale constrictions like pores in 2D covalent templates, but the isotropic metallic bonding makes stabilization difficult. A few metallenes have been stabilized but comparison with theory predictions has not always been clear. Here, we use density-functional theory calculations to explore the energetics and dynamic stabilities of 45 metallenes at six lattices (honeycomb, square, hexagonal, and their buckled counterparts) and varying atomic densities. We found that of the 270 different crystalline lattices, 128 were dynamically stable at sporadic densities, mostly under tensile strain. At the energy minima, lattices were often dynamically unstable against amorphization and the breaking down of metallene planarity. Consequently, the results imply that crystalline metallenes should be seen through a novel paradigm: they should be considered not as membranes with fixed structures and lattice constants but as yielding membranes that can be stabilized better under tensile strain and low atomic density. Following this paradigm, we rank the most promising metallenes for 2D stability and hope that the paradigm will help develop new strategies to synthesize larger and more stable metallene samples for plasmonic, optical, and catalytic applications.


Keywordsmetalsalloystwo-dimensionalitynanomaterials


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Ministry reportingYes

VIRTA submission year2024

Preliminary JUFO rating3


Last updated on 2024-02-11 at 20:05