頁籤選單縮合
題名 | Calculated Lifetimes of the First (v=1) Hydrogen Stretching Excited State on Hydrogen-covered H/Ge(111) Germanium Surface |
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作者姓名(中文) | 洪碩靖; 何明勳; 盧秀鳳; 孫英傑; | 書刊名 | Journal of the Chinese Chemical Society |
卷期 | 47:4B 民89.08 |
頁次 | 頁881-886 |
分類號 | 345.54 |
關鍵詞 | Hydrogen-covered germanium surface; Vibrational energy relaxation; Surface MD simulation; |
語文 | 英文(English) |
英文摘要 | In the present study, we report the calculated lifetimes of the first hydrogen stretching excited state on a hydrogen-covered H/Ge(111) germanium surface using molecular dynamics simulation based on the Bloch-Redfield theory. The lifetime was found to be 20 microseconds at room temperature, four orders longer than the hydrogen stretches on a H/Si(111) silicon surface. In addition, the calculations for the Ge-D and Ge-T stretches gave lifetimes in the time scale of hundreds and tens of nanoseconds, respectively, at room temperature. The thermal effect and an effect of the Ge-Ge-H bending frequency in the calculated lifetimes are discussed. |
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