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The stability and catalytic activity of W 13@Pt 42 core-shell structure

The stability and catalytic activity of W 13@Pt 42 core-shell structure

Jin-Rong Huo, Xiao-Xu Wang, Lu Li, Hai-Xia Cheng, Yan-Jing Su, Ping Qian

Sci Rep. 2016 Oct 19;6:35464.

PMID: 27759038

Abstract:

This paper reports a study of the electronic properties, structural stability and catalytic activity of the W13@Pt42 core-shell structure using the First-principles calculations. The degree of corrosion of W13@Pt42 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 Pt55, which inhibits the poison effect of O containing intermediate. Furthermore we present the optimal path of oxygen reduction reaction catalyzed by W13@Pt42. Corresponding to the process of O molecular decomposition, the rate-limiting step of oxygen reduction reaction catalyzed by W13@Pt42 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 W13@Pt42 has a promising perspective of industrial application.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP88519577-A	W-13		88519-57-7	Price

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