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This paper reports a study of the electronic properties, structural stability and catalytic activity of the W 13 @Pt 42  core-shell structure using the First-principles calculations. The degree of corrosion of W 13 @Pt 42  core-shell structure is simulated in acid solutions and through molecular absorption. The absorption energy of OH for this structure is lower than that for Pt 55 , which inhibits the poison effect of O containing intermediate. Furthermore we present the optimal path of oxygen reduction reaction catalyzed by W 13 @Pt 42 . Corresponding to the process of O molecular decomposition, the rate-limiting step of oxygen reduction reaction catalyzed by W 13 @Pt 42  is 0.386 eV, which is lower than that for Pt55 of 0.5 eV. In addition by alloying with W, the core-shell structure reduces the consumption of Pt and enhances the catalytic efficiency, so W 13 @Pt 42  has a promising perspective of industrial application.

The stability and catalytic activity of W13@Pt42 core-shell structure