@article{819daae07c1644eebd4b76b7895bf26b,
title = "Pt1-O4as active sites boosting CO oxidationviaa non-classical Mars-van Krevelen mechanism",
abstract = "Single-atom catalysts (SACs) exhibit excellent performance for various catalytic reactions but it is still challenging to have adequate total activity for practical applications. Here we report the high-valence, square planar Pt1-O4as an active site that enables significantly to increase the total activity of the Pt1/Fe2O3SAC with a Pt loading of only ∼30 ppm, which is similar to that of a 1.0 wt% nano-Pt/Fe2O3, for CO oxidation at 350 °C. Density functional theory calculations reveal that Pt1-O4catalyzes CO oxidation through a non-classical Mars-van Krevelen mechanism. The adsorbed O2on Pt1atoms activates the coordination oxygen in the Pt1-O4configuration, and then a barrierless O2dissociation occurs on the Pt1-Fe2triangle to replenish the consumed coordination oxygen by the cooperative action of Pt 5d and Fe 3d electrons. This work provides a new fundamental understanding of oxidation catalysis on stable and active SACs, providing guidance for rationally designing future heterogeneous catalysts.",
author = "Yang Lou and Yongping Zheng and Wenyi Guo and Jingyue Liu",
note = "Funding Information: The authors gratefully acknowledge the use of facilities within the Eyring Materials Center and the John M. Cowley Center for High Resolution Electron Microscopy at Arizona State University. The authors gratefully acknowledge Dr. Tao Li, Dr. Chengjun Sun and Dr. Gang Wan for collecting and analyzing the XAS data by using the resources of the Advanced Photon Source, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science by Argonne National Laboratory. YL acknowledges Dr. Qiguang Dai (East China University of Science and Technology) and Prof. Dong Yang (Nanjing Tech University) for helpful discussions. One official patent application of this work has been filed to the United States Patent and Trademark Office (application number: 16/898173) after we filed one provisional patent application (application number: 62/860084). Funding Information: This work was supported by the National Natural Science Foundation of China (21908079 and 51902339), the National Science Foundation under Grant No. 1465057 (CHE-1465057) and 1955474 (CHE-1955474), the State Key Laboratory of Fine Chemicals, Dalian University of Technology (KF2005) and Startup Funding at Jiangnan University (1045210322190170). Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2021.",
year = "2021",
month = may,
day = "21",
doi = "10.1039/d1cy00115a",
language = "English (US)",
volume = "11",
pages = "3578--3588",
journal = "Catalysis Science and Technology",
issn = "2044-4753",
publisher = "Royal Society of Chemistry",
number = "10",
}