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Direct experimental determination of Ag adatom locations in TCNQ-Ag 2D metal–organic framework on Ag(111)
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Mousley, Philip J., Rochford, Luke A., Hussain, Hadeel, Moro, Stefania, Ding, Pengcheng, Bell, Gavin R., Costantini, Giovanni, Nicklin, Christopher and Woodruff, D. Phil (2023) Direct experimental determination of Ag adatom locations in TCNQ-Ag 2D metal–organic framework on Ag(111). The Journal of Physical Chemistry C, 127 (8). pp. 4266-4272. doi:10.1021/acs.jpcc.2c07683 ISSN 1932-7447.
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WRAP-Direct-experimental-determination-of-Ag-adatom-locations-in-TCNQ-Ag-2D-metal-organic-framework-on-Ag-111-2023.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (3258Kb) | Preview |
Official URL: http://dx.doi.org/10.1021/acs.jpcc.2c07683
Abstract
A previous investigation of the structure of TCNQ adsorbed on Ag(111) using normal-incidence X-ray standing waves (NIXSW) and density functional theory (DFT) provided indirect evidence that Ag adatoms must be incorporated into the molecular overlayer. New surface X-ray diffraction (SXRD) results, presented here, provide direct evidence for the presence and location of these Ag adatoms and clearly distinguishes between two alternative models of the adatom registry favored by two different DFT studies.
Item Type: | Journal Article | ||||||
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Subjects: | Q Science > QD Chemistry | ||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Library of Congress Subject Headings (LCSH): | Silver -- Spectra, Metals -- Absorption and adsorption, Chemistry, Inorganic, Mineralogical chemistry, Supramolecular organometallic chemistry | ||||||
Journal or Publication Title: | The Journal of Physical Chemistry C | ||||||
Publisher: | American Chemical Society | ||||||
ISSN: | 1932-7447 | ||||||
Official Date: | 2 March 2023 | ||||||
Dates: |
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Volume: | 127 | ||||||
Number: | 8 | ||||||
Page Range: | pp. 4266-4272 | ||||||
DOI: | 10.1021/acs.jpcc.2c07683 | ||||||
Status: | Peer Reviewed | ||||||
Publication Status: | Published | ||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||
Date of first compliant deposit: | 6 March 2023 | ||||||
Date of first compliant Open Access: | 7 March 2023 | ||||||
RIOXX Funder/Project Grant: |
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