Diamond Publications - Search Results

Search Again...

These results only include publications that have been reviewed and processed by Diamond Light Source. To also view papers that have not yet been processed click here.

You can use the folder icon under Actions to collate papers as required. You can then click on View Folder in the left-hand navigation to review and/or download your folder.

One item found (0 items not approved).

Instruments / Technical Area	Publication Details	Published	Actions
I07-Surface & interface diffraction I09-Surface and Interface Structural Analysis	Direct experimental evidence for substrate adatom incorporation into a molecular overlayer Philip J. Mousley , Luke A. Rochford , Paul T. P. Ryan , Philip Blowey , James Lawrence , David A. Duncan , Hadeel Hussain , Billal Sohail , Tien-Lin Lee , Gavin R. Bell , Giovanni Costantini , Reinhard J. Maurer , Christopher Nicklin , D. Phil Woodruff The Journal Of Physical Chemistry C DOI: 10.1021/acs.jpcc.2c01432 Diamond Proposal Number(s): [14884, 4884] Open Access Show Abstract ▼ Abstract: While the phenomenon of metal substrate adatom incorporation into molecular overlayers is generally believed to occur in several systems, the experimental evidence for this relies on the interpretation of scanning tunneling microscopy (STM) images, which can be ambiguous and provides no quantitative structural information. We show that surface X-ray diffraction (SXRD) uniquely provides unambiguous identification of these metal adatoms. We present the results of a detailed structural study of the Au(111)-F4TCNQ system, combining surface characterization by STM, low-energy electron diffraction, and soft X-ray photoelectron spectroscopy with quantitative experimental structural information from normal incidence X-ray standing wave (NIXSW) and SXRD, together with dispersion-corrected density functional theory (DFT) calculations. Excellent agreement is found between the NIXSW data and the DFT calculations regarding the height and conformation of the adsorbed molecule, which has a twisted geometry rather than the previously supposed inverted bowl shape. SXRD measurements provide unequivocal evidence for the presence and location of Au adatoms, while the DFT calculations show this reconstruction to be strongly energetically favored.	Apr 2022

Instruments / Technical Area

Publication Details

Published

Actions

I07-Surface & interface diffraction
I09-Surface and Interface Structural Analysis

Direct experimental evidence for substrate adatom incorporation into a molecular overlayer