Spin-Polarized Total-Energy Calculations on Designing Magnetic Single-Atom Catalysts on the ZnO(0001̅) Surface with Pt and Pd
Jimena Magdalena Jacobo-Fernández,
Carlos Antonio Corona-García,
Rodrigo Ponce-Pérez
et al.
Abstract:Magnetic single-atom catalysts (MSACs) are the key to developing efficient catalysts. Zinc oxide (ZnO) is a cheap and versatile platform for its construction. Several efforts have been put into studying doped ZnO with transition metals to module its band gap, to modify its optical properties, or to improve its magnetic and electronic properties for spintronic, optoelectronic, photocatalytic, and gas-sensing nanoscale devices. However, effort must be directed toward enhancing its excellent catalytic properties … Show more
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.