研究・研究者
研究会・セミナー
| 演 題 | 「Structure and Reactivity of Metal Nanoparticles」 |
|---|---|
| 日 時 | 2011年04月04日(月) 14:00 より 15:00 まで |
| 講演者 | Notker Rosch 教授 （ミュンヘン工科大学触媒研究センター所長） |
| 場 所 | 分子科学研究所 南実験棟408室 |
| 概 要 |
Properties of transition metal nanoparticles vary significantly with size and shape, a well known example of quantum size effects. From density functional calculations on the adsorption of CO probe molecules at Pd nanocrystallites, we concluded that mainly the size-dependence of lattice parameters affects the adsorption properties of nanoparticles in the scalable regime. The average Pd-Pd distance in nanoclusters of about hundred atoms is ~3% shorter than in Pd bulk. This results in a weaker adsorption compared to an extended Pd(111) surface. On going to smaller Pd clusters, to the non-scalable regime, the CO adsorption energy becomes even smaller, down to species of about 40 atoms. Below that size range the adsorption energy increases again rather significantly. This behavior can be rationalized by a second trend in the non-scalable regime. |
| お問合せ先 | 永瀬 茂（理論・計算分子科学研究領域） |
