Cerium dioxide loaded platinum monatomic catalyst and structural design method thereof

Abstract

The invention discloses a cerium dioxide loaded platinum monatomic catalyst and a structural design method thereof, and belongs to the field of energy catalytic materials. The CeO2 surface of the catalyst is lt; 111gt, 111gt; performing orientation; a Pt1 monatomic loading position is a Ce substitution position on the surface of CeO2; oxygen vacancies are introduced on the surface of CeO2 to improve the CO poisoning resistance of the catalyst, and the structural design method comprises the following steps: (1) establishing CeO2 surface models with different crystal face orientations; (2) comparing the stability degrees of the Pt1 monatomic at different loading positions on the CeO2 surface with different orientations; (3) introducing oxygen vacancy defects on the surface of CeO2 to regulate and control the stability of Pt1 monatomic; and (4) calculating and comparing the strength of the Pt1 at CeO2 system on the CO adsorption effect. Through the design method provided by the invention, a clear reference direction is provided for experimental synthesis of an electrode catalyst material for a high-performance fuel cell.

Description

technical field [0001] The invention relates to a ceria supported platinum single-atom catalyst and a structure design method thereof, belonging to the field of energy catalytic materials. Background technique [0002] Energy crisis and environmental pollution are two major issues that countries all over the world pay attention to. For the sustainable development of human beings, developing clean and safe new energy has extremely important strategic significance. A fuel cell is a device that directly converts the chemical energy of fuel into electrical energy, and is an emerging fourth-generation power generation technology. It uses hydrogen and oxygen as fuel, the reaction is clean and safe, and it is friendly to the ecological environment; and the theoretical energy conversion efficiency can be as high as 90% or more, which is an electrochemical energy conversion technology with broad development prospects. [0003] The basic working principle of a fuel cell is that oxyge...

AI Technical Summary

Problems solved by technology

At present, the widely used electrode catalyst is carbon-supported platinum (Pt@C) catalyst. The biggest problem of this catalyst is: (1) carbon support is prone to corrosion, (2) the use of noble metal platinum increases the cost, (3) hydrogen fuel CO in the reformed gas causes catalyst poisoning

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