纳米棒
拉曼光谱
氧气
氧气储存
材料科学
催化作用
化学
密度泛函理论
化学物理
过氧化物
光谱学
化学工程
光化学
纳米技术
计算化学
光学
有机化学
工程类
物理
量子力学
作者
Marc Ziemba,M. V. Ganduglia‐Pirovano,Christian Heß
标识
DOI:10.1021/acs.jpclett.0c02607
摘要
The oxygen storage-release dynamics in ceria nanorods is elucidated by using a combination of in situ multi-wavelength Raman spectroscopy and density functional theory calculations. Ceria nanorods exposing CeO2(100) and CeO2(110) facets are shown to be characterized by highly facet-dependent properties regarding molecular oxygen activation and decomposition as well as lattice oxygen dynamics. Temperature-dependent Raman results show that oxygen is stored in the form of peroxide species on the (100) facets, which are then released as gaseous oxygen, whereas lattice oxygen is involved with the (110) facets. On the latter, peroxide species first decompose into oxygen atoms that heal vacant lattice oxygen sites before being released as gaseous oxygen. The exposure of different facets makes ceria nanorods an interesting material for catalytic applications, because they allow the use of a mixture of oxygen storage-release functions, as well as their synergistic interactions, in a single system.
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