• 文献标题:   Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au-20 over Its Tetrahedral Conformer: A Systematic DFT Study
  • 文献类型:   Article
  • 作  者:   YAMIJALA SSRKC, BANDYOPADHYAY A, PATI SK
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Jawaharlal Nehru Ctr Adv Sci Res
  • 被引频次:   7
  • DOI:   10.1021/jp506623b
  • 出版年:   2014

▎ 摘  要

Utilizing the strengths of nitrogen-doped graphene quantum dot (N-GQD) as a substrate, herein, we have shown that one can stabilize the catalytically more active planar Au-20 (P-Au-20) compared with 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 nanopartides 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.