CO oxidation on a single Pd atom supported on magnesia
CO oxidation on a single Pd atom supported on magnesia
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DOI：
10.1103/physrevlett.86.5950
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发表时间：
2001-06-25
影响因子：
8.6
通讯作者：
Landman, U
中科院分区：
文献类型：
--
作者：
Abbet, S;Heiz, U;Landman, U
用程序升温反应质谱法和红外光谱法研究了固定在MgO（100）表面氧空位上的单个Pd原子上CO的氧化。在单加热循环实验中，在90k预吸附的O-2和CO形成的CO2在260k和500k时被检测到。Ab-initio模拟发现了两种反应途径，Pd(CO)(2)O-2和PdCO3CO分别作为低温通道和高温通道的前驱体。这两种反应都导致空位的退火，并诱导剩余的Pd-CO迁移和聚并形成更大的团簇。
The oxidation of CO on Single Pd atoms anchored to MgO(100) surface oxygen vacancies is studied with: temperature-programmed-reaction mass spectrometry and infrared spectroscopy. In one-heating-cycle experiments, CO2, formed from O-2 and CO preadsorbed at 90 K, is detected at 260 and 500 K. Ab-initio simulations suggest two reaction routes, with Pd(CO)(2)O-2 and PdCO3CO found as precursors for the low and high temperature channels, respectively. Both reactions result in annealing of the vacancy and induce migration and coalescence of the remaining Pd-CO to form larger clusters.