Nitrogen Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au 20 Over its Tetrahedral Conformer: A Systematic DFT Study

Utilizing the strengths of nitrogen doped graphene quantum dot (N-GQD) as a substrate, here in, we have shown that one can stabilize the catalytically more active planar Au 20 (P-Au 20 ) compared to the thermodynamically more stable tetrahedral structure (T-Au 20 ) on an N-GQD. Clearly, this simple...

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Bibliographic Details
Published in:arXiv.org 2014-06
Main Authors: Sharma, SRKC Yamijala, Bandyopadhyay, Arkamita, Pati, Swapan K
Format: Article
Language:English
Subjects:
Gold
Graphene
Nanoparticles
Nitrogen
Planar structures
Quantum dots
Substrates
Transition metal oxides
Transition metals
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Summary:Utilizing the strengths of nitrogen doped graphene quantum dot (N-GQD) as a substrate, here in, we have shown that one can stabilize the catalytically more active planar Au 20 (P-Au 20 ) compared to the thermodynamically more stable tetrahedral structure (T-Au 20 ) on an N-GQD. Clearly, this simple route avoids the usage of traditional transition metal oxide substrates which have been suggested and used for stabilizing the planar structure for a long time. Considering the experimental success in the synthesis of N-GQDs and in the stabilization of Au nanoparticles on N-doped graphene, we expect our proposed method to stabilize planar structure will be realized experimentally and will be useful for industrial level applications.
ISSN:2331-8422
DOI:10.48550/arxiv.1406.3488