Design of a promoter to enhance the stability of catalysts for hydrocarbon reactions

Abstract

In this thesis, density functional calculations were used to develop a molecular level understanding of the deactivation of Ni catalysts by carbon deposition. Based on the molecular level understanding, a boron promoter was proposed to enhance the stability of Ni catalysts. To validate the theoretical predictions, a series of boron promoted supported Ni catalysts were synthesized and tested during methane steam reforming.