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Density Functional Theory plus Hubbard U Study of the Segregation of Pt to the CeO2- x Grain Boundary

Guoli Zhou, Pan Li, Qingmin Ma

  • 1State Key Lab of Nonferrous Metals & Processes , General Research Institute for Nonferrous Metal , Beijing 100088 , China.

Nano Letters
|February 16, 2018
PubMed

Keywords:
Grain boundariesfirst-principles calculationsmagnetismoxygen vacanciessegregation

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