Understanding adsorption geometry of organometallic molecules on graphite

Understanding adsorption geometry of organometallic molecules on graphite

Abstract To comprehensively investigate the adsorption geometries of organometallic molecules on graphene, Cp*Ru+ fragments as an organometallic molecule is bound on highly oriented pyrolytic graphite and imaged at atomic resolution using scanning tunneling microscopy (STM) (Cp* = pentamethylcyclope...

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Autores principales: Seungtaek Oh, Jungyoon Seo, Giheon Choi, Hwa Sung Lee
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
Materias:
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Science
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Acceso en línea:https://doaj.org/article/3e97c17d237342128fe1f2ad37490c51
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spelling oai:doaj.org-article:3e97c17d237342128fe1f2ad37490c512021-12-02T17:25:33ZUnderstanding adsorption geometry of organometallic molecules on graphite10.1038/s41598-021-97978-x2045-2322https://doaj.org/article/3e97c17d237342128fe1f2ad37490c512021-09-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-97978-xhttps://doaj.org/toc/2045-2322Abstract To comprehensively investigate the adsorption geometries of organometallic molecules on graphene, Cp*Ru+ fragments as an organometallic molecule is bound on highly oriented pyrolytic graphite and imaged at atomic resolution using scanning tunneling microscopy (STM) (Cp* = pentamethylcyclopentadienyl). Atomic resolution imaging through STM shows that the Cp*Ru+ fragments are localized above the hollow position of the hexagonal structure, and that the first graphene layer adsorbed with the fragments on the graphite redeveloped morphologically to minimize its geometric energy. For a better understanding of the adsorption site and molecular geometry, experimental results are compared with computed calculations for the graphene surface with Cp*Ru+ fragments. These calculations show the adsorption geometries of the fragment on the graphene surface and the relationship between the geometric energy and molecular configuration. Our results provide the chemical anchoring geometry of molecules on the graphene surface, thereby imparting the theoretical background necessary for controlling the various properties of graphene in the future.Seungtaek OhJungyoon SeoGiheon ChoiHwa Sung LeeNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution DOAJ
collection DOAJ
language EN
topic Medicine
R
Science
Q
spellingShingle Medicine
R
Science
Q
Seungtaek Oh
Jungyoon Seo
Giheon Choi
Hwa Sung Lee
Understanding adsorption geometry of organometallic molecules on graphite
description Abstract To comprehensively investigate the adsorption geometries of organometallic molecules on graphene, Cp*Ru+ fragments as an organometallic molecule is bound on highly oriented pyrolytic graphite and imaged at atomic resolution using scanning tunneling microscopy (STM) (Cp* = pentamethylcyclopentadienyl). Atomic resolution imaging through STM shows that the Cp*Ru+ fragments are localized above the hollow position of the hexagonal structure, and that the first graphene layer adsorbed with the fragments on the graphite redeveloped morphologically to minimize its geometric energy. For a better understanding of the adsorption site and molecular geometry, experimental results are compared with computed calculations for the graphene surface with Cp*Ru+ fragments. These calculations show the adsorption geometries of the fragment on the graphene surface and the relationship between the geometric energy and molecular configuration. Our results provide the chemical anchoring geometry of molecules on the graphene surface, thereby imparting the theoretical background necessary for controlling the various properties of graphene in the future.
format article
author Seungtaek Oh
Jungyoon Seo
Giheon Choi
Hwa Sung Lee
author_facet Seungtaek Oh
Jungyoon Seo
Giheon Choi
Hwa Sung Lee
author_sort Seungtaek Oh
title Understanding adsorption geometry of organometallic molecules on graphite
title_short Understanding adsorption geometry of organometallic molecules on graphite
title_full Understanding adsorption geometry of organometallic molecules on graphite
title_fullStr Understanding adsorption geometry of organometallic molecules on graphite
title_full_unstemmed Understanding adsorption geometry of organometallic molecules on graphite
title_sort understanding adsorption geometry of organometallic molecules on graphite
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/3e97c17d237342128fe1f2ad37490c51
work_keys_str_mv AT seungtaekoh understandingadsorptiongeometryoforganometallicmoleculesongraphite
AT jungyoonseo understandingadsorptiongeometryoforganometallicmoleculesongraphite
AT giheonchoi understandingadsorptiongeometryoforganometallicmoleculesongraphite
AT hwasunglee understandingadsorptiongeometryoforganometallicmoleculesongraphite
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