原位调控金属中的d带中心以实现CO氧化的催化活性。

In situ manipulation of the d-band center in metals for catalytic activity in CO oxidation.

作者信息

Lee Kyung Rok, Yun Danim, Park Dae Sung, Yun Yang Sik, Song Chyan Kyung, Kim Younhwa, Park Jungwon, Yi Jongheop

机构信息

School of Chemical and Biological Engineering, Seoul National University, 1, Gwanak-ro, Gwanak-gu, Seoul, Republic of Korea.

出版信息

Chem Commun (Camb). 2021 Apr 7;57(27):3403-3406. doi: 10.1039/d0cc06979e. Epub 2021 Mar 9.

DOI:10.1039/d0cc06979e

PMID:33687032

Abstract

A combination of in situ XANES, temperature programmed oxidation, kinetic and density functional theory results demonstrate that the d-band centers (ε) of Au and Pt metals are upshifted when 39.9 V m of electric field is applied. This leads to the enhancement of the adsorption strength of CO on both metals, and, thus, results in the promotion (+15%) and the depression (-23%) of CO conversions on Au and Pt, respectively, in the CO oxidation.

摘要

原位X射线吸收近边结构（XANES）、程序升温氧化、动力学和密度泛函理论结果相结合表明，当施加39.9 V/m的电场时，金和铂金属的d带中心（ε）会向上移动。这导致两种金属上一氧化碳的吸附强度增强，因此，在一氧化碳氧化反应中，分别使金和铂上一氧化碳转化率提高（+15%）和降低（-23%）。