Reentrant Mechanism for Associative Desorption: H2/Pt(110)-(1 x 2)
Reentrant Mechanism for Associative Desorption: H2/Pt(110)-(1 x 2)
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DOI：
10.1103/physrevlett.108.156101
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发表时间：
2012-04-10
影响因子：
8.6
通讯作者：
Jonsson, Hannes
中科院分区：
文献类型：
--
作者：
Gudmundsdottir, Sigridur;Skulason, Egill;Jonsson, Hannes
从Ptd（110）-（1 × 2），用于模拟纳米粒子边缘网站的表面的氢的解吸的计算显示，从0.8到0.3 eV的氢覆盖率强烈变化的活化能。预测的程序升温脱附谱与实验结果吻合较好，但氢分子的形成只发生在两种类型的网站上的表面上，即使观察到三个峰。最低和最高温度峰来自脊处相同的强结合位点的解吸，而来自最弱结合谷位点的解吸不显著。
Calculations of the desorption of hydrogen from Ptd(110)-(1 x 2), a surface used to model nanoparticle edge sites, show the activation energy varying strongly with hydrogen coverage, from 0.8 to 0.3 eV. The predicted temperature programed desorption spectra agree well with experiments, but the formation of the hydrogen molecules occurs only at two types of sites on the surface even though three peaks are observed. The lowest and highest temperature peaks result from desorption from the same strong binding sites at the ridge, while desorption from the weakest binding trough sites is insignificant.