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Resonant Charge-Transfer in Grazing Collisions of H with Vicinal Nanosurfaces on Cu(111), Au(100) and Pd(111) Substrates: A Comparative Study

by John Shaw 1,*,†, David Monismith 2,†, Yixiao Zhang 1,†,‡, Danielle Doerr 1,† and Himadri S. Chakraborty 1,†
1
Department of Natural Sciences, D.L. Hubbard Center for Innovation, Northwest Missouri State University, Maryville, MO 64468, USA
2
76th Software Engineering Group, Tinker AFB, OK 73145, USA
*
Author to whom correspondence should be addressed.
These authors contributed equally to this work.
Current address: School of Electrical and Computer Engineering, Cornell University, New York, NY, USA.
Atoms 2019, 7(3), 89; https://doi.org/10.3390/atoms7030089
Received: 17 July 2019 / Revised: 3 September 2019 / Accepted: 3 September 2019 / Published: 9 September 2019
(This article belongs to the Section Atomic, Molecular and Nuclear Spectroscopy and Collisions)
We compare the electron dynamics at monocrystalline Cu(111), Au(100) and Pd(111) precursor substrates with vicinal nanosteps. The unoccupied bands of a surface superlattice are populated via the resonant charge transfer (RCT) between the surface and a H ion that flies by at grazing angles. A quantum mechanical wave packet propagation approach is used to simulate the motion of the active electron, and time-evolved wave packet densities are used to visualize the dynamics through the superlattice. The survived ion fraction in the reflected beam generally exhibits modulations as a function of the vicinal terrace size and shows peaks at those energies that access the image state subband dispersions. Differences in magnitudes of the ion-survival as a function of the particular substrate selection and the ion-surface interaction time, based on the choice of two ion-trajectories, are examined. A square well model, producing standing waves between the steps on the surface, explains the energies of the maxima in the ion survival probability for all the metals considered. This indicates that the primary process of confinement induced subband formation is robust. The work may motivate measurements and applications of shallow-angle ion-scattering spectroscopy to access electronic substructures in periodically nanostructured surfaces. View Full-Text
Keywords: resonant charge transfer; nanosurface; superlattice band structure; wave packet propagation; ion-surface; ion survival resonant charge transfer; nanosurface; superlattice band structure; wave packet propagation; ion-surface; ion survival
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MDPI and ACS Style

Shaw, J.; Monismith, D.; Zhang, Y.; Doerr, D.; Chakraborty, H.S. Resonant Charge-Transfer in Grazing Collisions of H with Vicinal Nanosurfaces on Cu(111), Au(100) and Pd(111) Substrates: A Comparative Study. Atoms 2019, 7, 89.

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