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Direct experimental determination of Ag adatom locations in TCNQ-Ag 2D metal–organic framework on Ag(111)

DOI: 10.1021/acs.jpcc.2c07683 DOI Help

Authors: Philip J. Mousley (Diamond Light Source) , Luke A. Rochford (University of Birmingham) , Hadeel Hussain (Diamond Light Source) , Stefania Moro (University of Warwick) , Pengcheng Ding (University of Warwick) , Gavin R. Bell (University of Warwick) , Giovanni Costantini (University of Warwick) , Christopher Nicklin (Diamond Light Source) , D. Phil Woodruff (University of Warwick)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: The Journal Of Physical Chemistry C

State: Published (Approved)
Published: February 2023
Diamond Proposal Number(s): 24284

Open Access Open Access

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.

Subject Areas: Materials, Chemistry, Physics

Instruments: I07-Surface & interface diffraction

Added On: 20/02/2023 08:22


Discipline Tags:

Surfaces Physics Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

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