Following the Molecular Motion of Near-resonant Excited CO on Pt(111): A Simulated X-ray Photoelectron Diffraction Study Based on Molecular Dynamics Calculations

Overview

Journal Struct Dyn

Date 2016 Jan 23

PMID 26798798

Citations 5

Authors

Michael Greif

Tibor Nagy

Maksym Soloviov

Luca Castiglioni

Matthias Hengsberger

Markus Meuwly

Jurg Osterwalder

Affiliations

Soon will be listed here.

Abstract

A THz-pump and x-ray-probe experiment is simulated where x-ray photoelectron diffraction (XPD) patterns record the coherent vibrational motion of carbon monoxide molecules adsorbed on a Pt(111) surface. Using molecular dynamics simulations, the excitation of frustrated wagging-type motion of the CO molecules by a few-cycle pulse of 2 THz radiation is calculated. From the atomic coordinates, the time-resolved XPD patterns of the C 1s core level photoelectrons are generated. Due to the direct structural information in these data provided by the forward scattering maximum along the carbon-oxygen direction, the sequence of these patterns represents the equivalent of a molecular movie.

Citing Articles

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Hamm P, Meuwly M, Johnson S, Beaud P, Staub U Struct Dyn. 2018; 4(6):061601.

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Watching ultrafast responses of structure and magnetism in condensed matter with momentum-resolved probes.

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Femtosecond manipulation of spins, charges, and ions in nanostructures, thin films, and surfaces.

Carbone F, Hengsberger M, Castiglioni L, Osterwalder J Struct Dyn. 2018; 4(6):061504.

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Sensitivity of photoelectron diffraction to conformational changes of adsorbed molecules: Tetra-tert-butyl-azobenzene/Au(111).

Schuler A, Greif M, Seitsonen A, Mette G, Castiglioni L, Osterwalder J Struct Dyn. 2017; 4(1):015101.

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Erratum: "Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations" [Struct. Dyn. 2, 035102 (2015)].

Greif M, Nagy T, Soloviov M, Castiglioni L, Hengsberger M, Meuwly M Struct Dyn. 2016; 3(5):059901.

PMID: 27547780 PMC: 4958100. DOI: 10.1063/1.4958888.

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