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Zero-point vibration of the adsorbed hydrogen on the Pt(110) surface

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Abstract

The theoretical calculations for the low-lying vibrational H atoms adsorbed on the Pt(110) surface are presented. We use the H/Pt(110) model with the conventional ultrahigh vacuum and the density functional theory to study the phonon frequency. The nature of hydrogen atoms, which were adsorbed on the four different sites of Pt(110) surface, is shown. The most stable site of the short bridge is in agreement with previous studies. The highest stretching frequency of 2200 cm−1 and the zero-point energy (ZPE) of the H atom on top site ~ 140 meV are calculated. Our results convincingly demonstrate the need to study the local oscillation to understand the dynamics of this system.

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Acknowledgements

This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant Number 103.01–2017.50.

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  1. Ho Chi Minh City University of Technology, VNU-HCMC, Ho Chi Minh City, Vietnam

    Tran Thi Thu Hanh & Nguyen Van Hoa

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  1. Tran Thi Thu Hanh
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  2. Nguyen Van Hoa
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Correspondence to Tran Thi Thu Hanh.

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Hanh, T.T.T., Van Hoa, N. Zero-point vibration of the adsorbed hydrogen on the Pt(110) surface. Adsorption 26, 453–459 (2020). https://doi.org/10.1007/s10450-019-00195-2

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  • DOI: https://doi.org/10.1007/s10450-019-00195-2

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