New horizons of MBenes: highly active catalysts for the CO oxidation reaction
Bikun Zhang, Jian Zhou, Zhimei Sun
Abstract
, and are expected to be applied as COOR catalysts directly. Further investigations showed that the formation energy of oxygen vacancies could be used as the descriptor of COOR catalytic activity, which would help to reduce the amount of calculations significantly during the catalyst screening process. This work not only reports a series of 2D materials with high COOR catalytic activity and opens up a new application area for MBenes, but also provides a reliable strategy for highly efficient screening for COOR catalysts.
Topics & Concepts
CatalysisCarbon monoxideThermal stabilityHexagonal crystal systemChemistryChemical engineeringMaterials scienceInorganic chemistryCrystallographyOrganic chemistryEngineeringMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques