Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

Hai Bei Li; Alister J. Page; Ying Wang; Stephan Irle; Keiji Morokuma

doi:10.1039/c2cc32995f

Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

Hai Bei Li
, Alister J. Page
, Ying Wang
, Stephan Irle
, Keiji Morokuma

Research output: Contribution to journal › Article › peer-review

39 Scopus citations

Abstract

Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.

Original language	English
Pages (from-to)	7937-7939
Number of pages	3
Journal	Chemical Communications
Volume	48
Issue number	64
DOIs	https://doi.org/10.1039/c2cc32995f
State	Published - Jul 16 2012
Externally published	Yes

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title = "Sub-surface nucleation of graphene precursors near a Ni(111) step-edge",

abstract = "Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.",

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T1 - Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

AU - Li, Hai Bei

AU - Page, Alister J.

AU - Wang, Ying

AU - Irle, Stephan

AU - Morokuma, Keiji

PY - 2012/7/16

Y1 - 2012/7/16

N2 - Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.

AB - Graphene nucleation on Ni(111) has been modeled using QM/MD simulations. We demonstrate that graphene precursor nucleation can occur underneath the catalyst surface. In addition, a Ni(111) step-edge is not a static structure, as is often assumed; it is instead highly malleable, being deformed and subsequently healed during graphene nucleation.

UR - https://www.scopus.com/pages/publications/84864045752

U2 - 10.1039/c2cc32995f

DO - 10.1039/c2cc32995f

M3 - Article

AN - SCOPUS:84864045752

SN - 1359-7345

VL - 48

SP - 7937

EP - 7939

JO - Chemical Communications

JF - Chemical Communications

IS - 64

ER -

Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

Abstract

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