2D-3D Structure Transition of Gold Clusters on Reduced CeO2(111) Surfaces and Its Influence on CO and O2 Adsorption: A Comprehensive DFT + U Investigation

Nanoscale , 2014, Accepted Manuscript

DOI: 10.1039/C4NR03346A, Paper

Zhong-Kang Han, Yi Gao

Detailed knowledge of the structures of gold nanoparticles on ceria surface is of fundamental importance to understand their extraordinary activities in catalysis. In this work, we employ density functional theory...

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