Density functional theory study of propane steam reforming on Rh–Ni bimetallic surface: Sulfur tolerance and scaling/Brønsted–Evans–Polanyi relations

The reaction energetics of propane steam reforming are estimated by BEP relations on four metal (111) surfaces including Rh, Ni, Rh1Ni2, and Rh2Ni1. The bimetallic surfaces provide higher sulfur tolerance than pure metals by reducing the influence of sulfur poisoning on kinetic barriers.