Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface
Abstract Studying inorganic/organic hybrid systems is a stepping stone towards the design of increasingly complex interfaces. A predictive understanding requires robust experimental and theoretical tools to foster trust in the obtained results. The adsorption energy is particularly challenging in th...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-07-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-023-00925-2 |
| _version_ | 1797784677988171776 |
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| author | Victor G. Ruiz Christian Wagner Friedrich Maaß Hadi H. Arefi Stephan Stremlau Petra Tegeder F. Stefan Tautz Alexandre Tkatchenko |
| author_facet | Victor G. Ruiz Christian Wagner Friedrich Maaß Hadi H. Arefi Stephan Stremlau Petra Tegeder F. Stefan Tautz Alexandre Tkatchenko |
| author_sort | Victor G. Ruiz |
| collection | DOAJ |
| description | Abstract Studying inorganic/organic hybrid systems is a stepping stone towards the design of increasingly complex interfaces. A predictive understanding requires robust experimental and theoretical tools to foster trust in the obtained results. The adsorption energy is particularly challenging in this respect, since experimental methods are scarce and the results have large uncertainties even for the most widely studied systems. Here we combine temperature-programmed desorption (TPD), single-molecule atomic force microscopy (AFM), and nonlocal density-functional theory (DFT) calculations, to accurately characterize the stability of a widely studied interface consisting of perylene-tetracarboxylic dianhydride (PTCDA) molecules on Au(111). This network of methods lets us firmly establish the adsorption energy of PTCDA/Au(111) via TPD (1.74 ± 0.10 eV) and single-molecule AFM (2.00 ± 0.25 eV) experiments which agree within error bars, exemplifying how implicit replicability in a research design can benefit the investigation of complex materials properties. |
| first_indexed | 2024-03-13T00:44:14Z |
| format | Article |
| id | doaj.art-23bcda18b359465fbb9af82b47924c84 |
| institution | Directory Open Access Journal |
| issn | 2399-3669 |
| language | English |
| last_indexed | 2024-03-13T00:44:14Z |
| publishDate | 2023-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj.art-23bcda18b359465fbb9af82b47924c842023-07-09T11:08:30ZengNature PortfolioCommunications Chemistry2399-36692023-07-01611910.1038/s42004-023-00925-2Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interfaceVictor G. Ruiz0Christian Wagner1Friedrich Maaß2Hadi H. Arefi3Stephan Stremlau4Petra Tegeder5F. Stefan Tautz6Alexandre Tkatchenko7Helmholtz-Zentrum Berlin für Materialien und EnergiePeter Grünberg Institut, Forschungszentrum JülichRuprecht-Karls-Universität Heidelberg, Physikalisch-Chemisches InstitutPeter Grünberg Institut, Forschungszentrum JülichRuprecht-Karls-Universität Heidelberg, Physikalisch-Chemisches InstitutRuprecht-Karls-Universität Heidelberg, Physikalisch-Chemisches InstitutPeter Grünberg Institut, Forschungszentrum JülichDepartment of Physics and Materials Science, University of LuxembourgAbstract Studying inorganic/organic hybrid systems is a stepping stone towards the design of increasingly complex interfaces. A predictive understanding requires robust experimental and theoretical tools to foster trust in the obtained results. The adsorption energy is particularly challenging in this respect, since experimental methods are scarce and the results have large uncertainties even for the most widely studied systems. Here we combine temperature-programmed desorption (TPD), single-molecule atomic force microscopy (AFM), and nonlocal density-functional theory (DFT) calculations, to accurately characterize the stability of a widely studied interface consisting of perylene-tetracarboxylic dianhydride (PTCDA) molecules on Au(111). This network of methods lets us firmly establish the adsorption energy of PTCDA/Au(111) via TPD (1.74 ± 0.10 eV) and single-molecule AFM (2.00 ± 0.25 eV) experiments which agree within error bars, exemplifying how implicit replicability in a research design can benefit the investigation of complex materials properties.https://doi.org/10.1038/s42004-023-00925-2 |
| spellingShingle | Victor G. Ruiz Christian Wagner Friedrich Maaß Hadi H. Arefi Stephan Stremlau Petra Tegeder F. Stefan Tautz Alexandre Tkatchenko Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface Communications Chemistry |
| title | Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface |
| title_full | Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface |
| title_fullStr | Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface |
| title_full_unstemmed | Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface |
| title_short | Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface |
| title_sort | accurate quantification of the stability of the perylene tetracarboxylic dianhydride on au 111 molecule surface interface |
| url | https://doi.org/10.1038/s42004-023-00925-2 |
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