Figure 2 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 2

Caption

Surface coverage and reconstruction of SnO electrocatalysts during CO2RR: (a, b) One-dimensional (1D) surface Pourbaix diagrams of SnO at USHE = 0 and pH = 0, respectively; (c) 2D surface Pourbaix diagram of SnO; (d) a schematic illustration of SnO electroreduction, highlighting varying levels of oxygen vacancy coverage (0 → 1/2 ML OV* → 1/1 ML OV*); (e) migration barrier of lattice oxygen (OL) within SnO nanosheets, along with the associated structures representing the initial (IS), transition (TS), and final states (FS) during the OL migration process; (f) formation free energy of H2(OL)* and OV* on SnO as a function of URHE; (g) the Gibbs free energy of electroreduction-induced OV* formation on p-SnO under the neutral environment at different potentials; (h) the Gibbs free energy associated with the formation of electroreduction-induced OV* on reconstructed SnO with an OV* concentration of 1/2 ML (r-SnO1-x-1/2OV*) under neutral conditions at various applied potentials; (i) surface reconstruction of SnO nanosheets with the first layer fully reduced named as r-SnO1-x-1/1OV*, simulated by AIMD. 

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©Hao Li

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