Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene
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Title
Ab Initio Computational Study of Chromate Molecular Anion Adsorption on the Surfaces of Pristine and B- or N-Doped Carbon Nanotubes and Graphene
Authors
Keywords
Excited states, CNT, Graphene, Chromate, TD-DFT, Binding energy, Adsorption
Journal
Nanoscale Research Letters
Volume 12, Issue 1, Pages -
Publisher
Springer Nature
Online
2017-01-25
DOI
10.1186/s11671-017-1846-x
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