Gentle tension stabilizes atomically thin metallenes
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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NanoscaleDate
2024Copyright
© The Royal Society of Chemistry 2024
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.
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Royal Society of ChemistryISSN Search the Publication Forum
2040-3364Publication in research information system
https://converis.jyu.fi/converis/portal/detail/Publication/243350803
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Jane and Aatos Erkko FoundationFunding program(s)
FoundationAdditional information about funding
We acknowledge the Vilho, Yrjö, and Kalle Väisälä Foundation of the Finnish Academy of Science and Letters and the Jane and Aatos Erkko Foundation for funding (project EcoMet) and the Finnish Grid and Cloud Infrastructure (FGCI) for computational resources.License
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