Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

Thomas B. Shiell; Dougal G. McCulloch; Jodie E. Bradby; Bianca Haberl; David R. McKenzie

doi:10.1016/j.jnoncrysol.2020.120610

Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

Thomas B. Shiell, Dougal G. McCulloch, Jodie E. Bradby, Bianca Haberl, David R. McKenzie

High Pressure

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

9 Scopus citations

Abstract

Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. We find that the recent models derived from empirical potentials give the best agreement.

Original language	English
Article number	120610
Journal	Journal of Non-Crystalline Solids
Volume	554
DOIs	https://doi.org/10.1016/j.jnoncrysol.2020.120610
State	Published - Feb 15 2021

Funding

The authors acknowledge the financial support of the Australian Research Council through the award of the Discovery Grants DP170102086 and DP170102087. We gratefully acknowledge Jamie J. Molaison and Matt G. Tucker (both ORNL) for aid in the neutron diffraction experiment and the generation of the radial distribution function, respectively. The neutron scattering portion of this work was conducted at the SNAP beamline of the Spallation Neutron Source, a DoE Office of Science User Facilities operated by Oak Ridge National Laboratory. The authors thankfully acknowledge Thomas R. Stanley for assisting with the generation of simulated graphite structures using Visual Basic, and Matthew R. Field and Edwin Mayes at the Australian Microscopy & Microanalysis Research Facility at RMIT University for their assistance with FIB processing and TEM measurements. The authors acknowledge the financial support of the Australian Research Council through the award of the Discovery Grants DP170102086 and DP170102087 .

Funders	Funder number
Office of Science
Oak Ridge National Laboratory
Australian Research Council	DP170102086, DP170102087

Keywords

Curvature
Glassy carbon
Graphene
Neutron diffraction
Transmission electron microscopy

Access to Document

10.1016/j.jnoncrysol.2020.120610

Cite this

@article{13128c2ad62248658b10a402aa4febf9,

title = "Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon",

abstract = "Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. We find that the recent models derived from empirical potentials give the best agreement.",

keywords = "Curvature, Glassy carbon, Graphene, Neutron diffraction, Transmission electron microscopy",

author = "Shiell, {Thomas B.} and McCulloch, {Dougal G.} and Bradby, {Jodie E.} and Bianca Haberl and McKenzie, {David R.}",

note = "Publisher Copyright: {\textcopyright} 2020",

year = "2021",

month = feb,

day = "15",

doi = "10.1016/j.jnoncrysol.2020.120610",

language = "English",

volume = "554",

journal = "Journal of Non-Crystalline Solids",

issn = "0022-3093",

publisher = "Elsevier",

}

TY - JOUR

T1 - Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

AU - Shiell, Thomas B.

AU - McCulloch, Dougal G.

AU - Bradby, Jodie E.

AU - Haberl, Bianca

AU - McKenzie, David R.

PY - 2021/2/15

Y1 - 2021/2/15

N2 - Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. We find that the recent models derived from empirical potentials give the best agreement.

AB - Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. We find that the recent models derived from empirical potentials give the best agreement.

KW - Curvature

KW - Glassy carbon

KW - Graphene

KW - Neutron diffraction

KW - Transmission electron microscopy

UR - http://www.scopus.com/inward/record.url?scp=85098563966&partnerID=8YFLogxK

U2 - 10.1016/j.jnoncrysol.2020.120610

DO - 10.1016/j.jnoncrysol.2020.120610

M3 - Article

AN - SCOPUS:85098563966

SN - 0022-3093

VL - 554

JO - Journal of Non-Crystalline Solids

JF - Journal of Non-Crystalline Solids

M1 - 120610

ER -

Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this