Theoretical Study on the O–H Fracture of Methanol on PtnCu4–n (n = 1, 2, 3) Catalysts with Different Coverages

Direct methanol fuel cells (DMFCs) have attracted increasing attention as a very promising and important energy source. In this paper, density functional theory (DFT) is used to study the structure and O-H fracture mechanism of methanol adsorption on Pt