Perdition of CO Binding Strength by Coordination Numbers

The CO poison is one of the major problems for Pt based catalytic processes. We showed that the CO binding strength over PtCu alloy (111) surfaces strongly depend on the Pt local structure, where surface Pt neighbors weakens CO binding and subsurface Pt neighbors play an opposite role. We also developed a method to achieve fast predict CO binding energy over PtCu(111) surfaces determined by its local structure, only with Pt-Pt coordination numbers as the variables.

Read more in our recent publication:

Fast Prediction of CO Binding Energy via the Local Structure Effect on PtCu Alloy Surfaces

Langmuir, 2017, 33, 8700

Posted in Research.