Mechanical Stress Combined with Alloying May Allow Continuous Control Over Reactivity: Strain Effects on CO Dissociation and Subsequent Methanation Catalysis over Ni(211), Ni3Fe(211), and NiFe(112)

Abstract

Mechanical stress combined with alloying as controlled by CO dissociation is investigated for the control of methanation activity. CO dissociation over strained Ni(211), Ni3Fe(211), and NiFe(112) is investigated. A continuous 0.62 eV range of CO reaction energy is achievable considering the examined alloys and strains. The CO dissociation energy spanned by the strained NixFey surfaces includes that of elemental Ni, Ru, Co, Rh, and Ir. The linear relationship between activation energy and reaction energy is found to be the same under strain as under alloying, suggesting strain as a similar alchemical tool. Peak activity is achievable for each alloy depending on the selection of strain