First principle study on the interactions of NH3, NOx and O2 with Fe3O4 (1 1 1) surfaces

Applied Surface Science（2022）

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摘要

The equilibrium configuration of NH3, NOx and O2 adsorbed on the Feoct-tet-terminated surface.

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关键词

Fe3O4 (111),First principle,Adsorption,NH3-SCR

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