The structure of oxygen-induced reconstruction on Cu{100}-c(2×2)–Pt surface alloy: the Pt/Cu{100}-(2×2)–O

AlShamaileh, Ehab; Pussi, Katariina; Younis, Hamid M.; Barnes, Colin; Lindroos, M.

doi:10.1016/j.susc.2003.11.024

Cited by 3 publications

(1 citation statement)

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“…55 Moreover, relatively simple atomic superstructures could also be refined with high accuracy, examples comprise hydrogen on Ir(110), 56 (R P = 0.10) and halogens on metal surfaces such as Cl/Ru(0001) 57 and Br/Pt(110) 58 with R P = 0.19 and 0.23, respectively. LEED structure refinement was also successfully carried out for sulphide or oxide adlayers like O/V(110), 59 MnO/Ag(100), 60 S/Ir(100), 61 O/Pt/Cu(100), 62 V 2 O 3 /Pd(111), 63 S/Au(110), 64 O/ Cu(210), 65 resulting in R P of 0.11-0.36. Excellent R P values of around 0.15-0.22 were also obtained for smaller organic adsorbates such as dinitrogen/NaCl(100), 7 carbon monoxide/ Pt(110), 8 formic acid/TiO 2 (110), 9 cyanide/Ni(110), 10 and glycine/ Cu(110).…”

Section: Resultsmentioning

confidence: 99%

Adsorption structure determination of a large polyaromatic trithiolate on Cu(111): combination of LEED-I(V) and DFT-vdW

Sirtl

Jelic

Meyer

et al. 2013

Phys. Chem. Chem. Phys.

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The adsorption geometry of 1,3,5-tris(4-mercaptophenyl)benzene (TMB) on Cu(111) is determined with high precision using two independent methods, experimentally by quantitative low energy electron diffraction (LEED-I(V)) and theoretically by dispersion corrected density functional theory (DFT-vdW). Structural refinement using both methods consistently results in similar adsorption sites and geometries. Thereby a level of confidence is reached that allows deduction of subtle structural details such as molecular deformations or relaxations of copper substrate atoms.

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