What is it about?

we used first-principle calculations to study the electrochemical properties of pure graphene (PG) in addition to various coverages of BG upon adsorption of CO as a lethal gas. We observe stronger adsorption as well as higher charge transfer in terms of increasing the B-coverage (Θ) from CO to graphene. Moreover, adsorption energies are scaled substantially by the rate of coverage attributed to the role of co-adsorption.

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Why is it important?

Our results confirm experimental data on the enhanced gas sensitivity of boron-doped graphene and show that B-decorated manipulation of the graphene layer is potentially very favorable for designing new sensors for toxic gas detection.

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This page is a summary of: Boron decorated graphene nanosheet as an ultrasensitive sensor: the role of coverage, Journal of Molecular Modeling, May 2019, Springer Science + Business Media,
DOI: 10.1007/s00894-019-4046-z.
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