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Revisiting H/Pt(111) by a combined experimental study of the H-D exchange reaction and first-principles calculations |
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| Authors: | XU LingShun MA YunSheng ZHANG YuLin TENG BoTao JIANG ZhiQuan & HUANG WeiXin Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion |
| Affiliation: | XU LingShun1,MA YunSheng1,ZHANG YuLin1,TENG BoTao2,JIANG ZhiQuan1 & HUANG WeiXin1 1Hefei National Laboratory for Physical Sciences at the Microscale,CAS Key Laboratory of Materials for Energy Conversion,Department of Chemical Physics,University of Science and Technology of China,Hefei 230026,China 2Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces,Institute of Physical Chemistry,Zhejiang Normal University,Jinhua 321004,China |
| Abstract: | We report a detailed investigation of the behavior of chemisorbed hydrogen atoms (Ha) on Pt(111) by a combination of an ex-perimental study of the Ha + Da reaction and first-principles calculations. The coverage-dependent adsorption and desorption behavior of Ha and Da on Pt(111) have been systematically established and can be well interpreted in terms of repulsive inter-actions between adsorbates. Ha adsorbs exclusively on the face-centered cubic (fcc) sites of Pt(111) at coverages not exceeding 1 monolaye... |
| Keywords: | H-D exchange reaction repulsive interactions diffusion density functional theory calculations Pt(111) |
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