在集群上,由诱导的CO从分裂性转变为分子化学吸收的转变
Ingmar Swart1, André Fielicke, Britta Redlich
1Inorganic Chemistry and Catalysis, Department of Chemistry, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht, the Netherlands.
Journal of the American Chemical Society
|February 1, 2007
概括
原子防止一氧化碳 (CO) 在集群上的解离,使大多数和集群上保持完整的CO吸附. 这一发现对于理解表面化学和催化作用至关重要.
科学领域:
- 物理化学 物理化学
- 表面科学是一门学科.
- 材料科学 材料科学 材料科学
背景情况:
- 集群具有催化活性,但容易发生CO分离.
- 了解CO与金属集群的相互作用是设计新催化剂的关键.
研究的目的:
- 调查覆盖对CO与集群 (V5-20) 的相互作用的影响.
- 确定这些集群上非离合性CO吸附的条件.
主要方法:
- 红外多光子解离谱法以获得结构信息.
- 密度函数理论计算用于集群建模 (V5-V9).
- 对nu(CO) 伸展带进行分析,以检测CO结合状态.
主要成果:
- 在裸露的集群上,二氧化碳分离.
- 在被和覆盖的V5-20+集群上,除了V5+,V9+,V11+和V19+外,CO吸附完好无损.
- 当原子阻断了C和O的潜在结合点时,分裂性化学吸收被抑制.
结论:
- 瓦纳集群的化显著改变了CO吸附行为.
- 用气完全和结合点对于防止CO分离至关重要.
- 这项研究为控制金属集群表面的反应性提供了洞察力.
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