Corrigendum to “Mixed metal oxide: A new class of catalyst for methanol activation” [Appl. Surf. Sci. 534 (2020) 147449]

Looking beyond Adsorption Energies to Understand Interactions at Surface using Machine Learning

“…In this work, we demonstrate the lack of correlation between E a and BL act for multiple small molecules on late transition metal surfaces. However, we have reported similar observations in our previous studies for different molecules like methanol and methane over various surfaces like metal oxides, mixed metal oxides, and single‐atom catalyst surfaces [36,56,57] . Two studies reported earlier for methanol adsorption on metal oxide (ZnO) and mixed metal oxide (ZnAl 2 O 4 ) surfaces also brought out the same result.…”

“…It was interesting to note that the lack of correlation was observed consistently on all the surfaces. Also, for two facets of ZnAl 2 O 4 we noticed that the catalytic response of surfaces towards the adsorbate could be understood well when the studied cases were classified based on BL act rather than E a [36] . The BL act correlated very well with the availability of nearest surface oxygen and hence explaining the role of surface (surface oxygen in particular) for activating methanol.…”

“…report the interaction of methanol on four different facets and two different kinds (polar and non‐polar) of ZnO surfaces viz. (10$${\bar 1}$$ 0), (11$${\bar 2}$$ 0), (10$${\bar 1}$$ 3), and (11$${\bar 2}$$ 2) [56] . It was interesting to note that the lack of correlation was observed consistently on all the surfaces.…”

“…This agrees well with the observations reported in one of our earlier studies, where distance of surface oxygen from the adsorbate played a crucial role in explaining the catalytic activity of the ZnAl 2 O 4 surface. [36] While bond energy of the adsorbate always bagged the first place during E a predictions, it was replaced by adsorbates electron affinity during BL act prediction.…”

“…But a careful analysis of the literature proves lack of linear correlation between the two [23–35] . In our previous study of methanol activation on (220) and (311) facet of a mixed metal oxide (ZnAl 2 O 4 ) surface, we observed that changing orientation of methanol resulted in different extents of bondlength activation for its O−H bond [36] . The distance from the nearest available surface oxygen was attributed for the corresponding O−H bond activation.…”