Interface mechanics of 2D materials on metal substrates

Surana, Mitisha; Ahmed, Tusher; Admal, Nikhil Chandra

doi:10.1016/j.jmps.2022.104831

Journal of the Mechanics and Physics of Solids

2022

DOI: 10.1016/j.jmps.2022.104831

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Interface mechanics of 2D materials on metal substrates

Mitisha Surana

Tusher Ahmed

Nikhil Chandra Admal

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2024

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Cited by 2 publications

(2 citation statements)

References 59 publications

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“…Since graphene is pinned, macroscopic strains are induced. Depending on the availability of thermal energy, these facets may coalesce to release some bending strain, 19 consistent with previous step bunching studies. Regardless, graphene will have some amount of tensile strain at room temperature (RT).…”

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confidence: 88%

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Strain-Driven Faceting of Graphene-Catalyst Interfaces

et al. 2023

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The interfacial interaction of 2D materials with the substrate leads to striking surface faceting affecting its electronic properties. Here, we quantitatively study the orientation-dependent facet topographies observed on the catalyst under graphene using electron backscatter diffraction and atomic force microscopy. The original flat catalyst surface transforms into two facets: a low-energy low-index surface, e.g. (111), and a vicinal (high-index) surface. The critical role of graphene strain, besides anisotropic interfacial energy, in forming the observed topographies is revealed by molecular simulations. These insights are applicable to other 2D/3D heterostructures.

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supporting

confidence: 88%

“…This has never been reported previously, and in fact contradicts some of the MD simulations in the literature that assume that the facets are low-energy surfaces. 11 Continuum analysis 19 of the effect of surface energy anisotropy and bending rigidity demonstrates faceting qualitatively, but the formation of these vicinal facets is still unclear.…”

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confidence: 99%

Strain-Driven Faceting of Graphene-Catalyst Interfaces

et al. 2023

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An approach to surface electron density-sensing property correlation in non-stoichiometric boron carbide

Chakraborty,

Mondal

2024

AIP Advances

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The key to most surface phenomena lies in the surface electron density. Particularly, it is the electron density distribution over the surface that primarily controls the overall interaction of the material with the external environment, say in processes like heterogeneous catalysis. Hence, a precise understanding of surface electron density is essential to understand and design improved surface active materials for catalysis and sensing. Surface structure has been determined primarily using surface sensitive techniques like high-energy surface x-ray diffraction (XRD), the crystal truncation rod scattering method, low-energy electron diffraction, scanning transmission electron microscopy, and grazing incidence small angle x-ray scattering. In this work, using aspherical electron density models of crystal structures in different molecular and extended solids, we show a convenient and complementary way of determining high-resolution experimental surface electron density distribution from conventional bulk x-ray diffraction data. The usefulness of our method has been validated by the surface functionality of boron carbide. While certain surfaces in boron carbide show the presence of substantial electron deficient centers, they are absent in others. Based on that, a new surface property of boron carbide has been inferred and has also been validated by chemiresistive gas sensing experiments.

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Interface mechanics of 2D materials on metal substrates

Cited by 2 publications

References 59 publications

Strain-Driven Faceting of Graphene-Catalyst Interfaces

Strain-Driven Faceting of Graphene-Catalyst Interfaces

An approach to surface electron density-sensing property correlation in non-stoichiometric boron carbide

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