Mechanism of transition-metal nanoparticle catalytic graphene cutting

Liang Ma, Jinlan Wang, Yiu Wan Yip, Feng Ding

Research output: Journal article publicationJournal articleAcademic researchpeer-review

24 Citations (Scopus)

Abstract

Catalytic cutting by transition-metal (TM) particles is a promising method for the synthesizing of high-quality graphene quantum dots and nanoribbons with smooth edges. Experimentally, it is observed that the cutting always results in channels with zigzag (ZZ) or armchair (AC) edges. However, the driving force that is responsible for such a cutting behavior remains a puzzle. Here, by calculating the interfacial formation energies of the TM-graphene edges with ab initio method, we show that the surface of a catalyst particle tends to be aligned along either AC or ZZ direction of the graphene lattice, and thus the cutting of graphene is guided as such. The different cutting behaviors of various catalysts are well-explained based on the competition between TM-passivated graphene edges and the etching-agent-terminated ones. Furthermore, the kinetics of graphene catalytic cutting along ZZ and AC directions, respectively, are explored at the atomic level.
Original languageEnglish
Pages (from-to)1192-1197
Number of pages6
JournalJournal of Physical Chemistry Letters
Volume5
Issue number7
DOIs
Publication statusPublished - 3 Apr 2014

Keywords

  • ab initio calculations
  • cutting
  • graphene
  • heterogeneous catalysis
  • nanostructures

ASJC Scopus subject areas

  • Materials Science(all)

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