DFT+U方法研究Ni掺杂对CeO2结构和储放氧性能影响

王欣全;沈美庆;王军

Steric Effects on the Enhanced Oxygen Storage Capacity of Ni Point Defects in Ceria: A First-principles DFT+U Study

. 2011, (11-01): 26 -29 . DOI: 10.3981/j.issn.1000-7857.2011.01.001