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Manuscript-Phosphorene-EDA-sgj-kwa-dca-21072020.pdf (1.06 MB)

Theoretical Description of the Physical/chemical Contributions Determining the Stability of Transition-Metal Doped Phosphorene Nanosheets

preprint
submitted on 22.07.2020 and posted on 23.07.2020 by Sasha Gazzari, Kerry Wrighton-Araneda, Diego Cortes-Arriagada
In this report, we explore the stability of doped-phosphorene nanosheets with first-row transition metals in the framework of density functional theory and by using a bonding characterization and energy decomposition analyses.

Funding

CONICYT/FONDECYT project #11170289

CONICYT/FONDEQUIP project EQM180180

Fund of Scientific and Technological Equipment, the year 2018, code L318-04, Universidad Tecnológica Metropolitana

CONICYT/FONDECYT de Postdoctorado #3200270

History

Email Address of Submitting Author

dcortes@utem.cl

Institution

Universidad Tecnológica Metropolitana

Country

Chile

ORCID For Submitting Author

0000-0002-6709-1723

Declaration of Conflict of Interest

There are no competing interests to declare by the authors.

Version Notes

Version of July 21, 2020.

Licence

Exports