Vibrational states of the hydrogen isotopes on Pd(111) |
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| Affiliation: | 1. School of Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019, USA;2. Chevron Phillips Chemical, Bartlesville, OK 74004, USA;3. Chevron Phillips Chemical, Kingwood, TX 77339, USA;4. Chevron Phillips Chemical, The Woodlands, TX 77380, USA;1. School of Physics & Optoelectronic Engineering, Nanjing University of Information Science & Technology, Nanjing, 210044, China;2. School of Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK, 73019, USA;3. Jiangsu International Joint Laboratory on Meteorological Photonics and Optoelectronic Detection, Nanjing University of Information Science & Technology, Nanjing, 210044, China;4. Jiangsu Key Laboratory for Optoelectronic Detection of Atmosphere and Ocean, Nanjing University of Information Science & Technology, Nanjing, 210044, China;1. Groupe de Spectrometrie Moléculaire et Atmospherique, UMR CNRS 7331, University of Reims Champagne-Ardenne, F-51687 Reims Cedex 2, France;2. Department of Physics, University of Central Florida, Orlando, FL 32816, USA |
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| Abstract: | The ground and excited vibrational states for the three hydrogen isotopes on the Pd(111) surface have been calculated. Notable features of these states are the high degree of anharmonicity, which is most prominently seen in the weak isotopic dependence of the parallel vibrational transition, and the narrow bandwidths of these states, which imply that atomic hydrogen is localized on a particular surface site on time scales of 100 ps or more. Experiments to resolve ambiguities concerning the present system are suggested. |
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