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NO reduction over an Al-embedded MoS2 monolayer: a first-principles study

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By performing first-principles calculations, we introduce a stable and novel catalyst for the conversion of NO and CO molecules into N2O and CO2 using Al-doped MoS2. Click to show full abstract

By performing first-principles calculations, we introduce a stable and novel catalyst for the conversion of NO and CO molecules into N2O and CO2 using Al-doped MoS2.

Keywords: principles study; monolayer first; embedded mos2; mos2 monolayer; reduction embedded; first principles

Journal Title: RSC Advances
Year Published: 2019

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