Month: January 2017

New paper in The Journal of Physical Chemistry C – Atomic Adsorption on Nitrogenated Holey Graphene

Our first paper of 2017 “Atomic Adsorption on Nitrogenated Holey Graphene” has just been accepted for publication in The Journal of Physical Chemistry C. In this work we employ first principles calculations and a hybrid Quantum Mechanics:Molecular Mechanics method (ONIOM)

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