[DFTB-Plus-User] DFTB paper

[toufik esssakhri]

Dear all,

I would like to share with you my very first DFTB paper : https://doi.org/10.1039/D1CP00995H
We used DFTB+ code to investigate the electronic and magnetic properties of fluorographene (CF)
in presence of F-vacancies defects and/or chemical groups (-OH, -CN, -NH2).

Best regards
Toufik

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