SELECTIVITY OF ADSORPTION OF THIOPHENE AND ITS DERIVATIVES ON TITANIA ANATASE SURFACES: A DENSITY FUNCTIONAL THEORY STUDY

摘要

Sulfur is one of the major contaminants present in liquid fossil fuels, often bonded to conjugated rings. The presence of sulfur in the fuels leads to emission of SO_x species upon the combustion of fuel, hence desulfurization is important for producing cleaner transportation fuels.If the fuel is to be reformed for use in fuel cells, sulfur may poison the reforming and water-gas shift catalysts or the electrode catalysts, even at ppm levels Hence the removal of sulfur plays a major role in fuel processing for fuel cells. tliR