Rational design of MoS<sub>2</sub>-supported Cu single-atom catalysts by machine learning potential for enhanced peroxidase-like activity
Deting Xu, Wenyan Yin, Jie Zhou, Liyuan Wu, Haodong Yao, Minghui Sun, Ping Chen, Xiangwen Deng, Lina Zhao
Abstract
-Vs in an acidic environment exhibited the highest peroxidase-like activity. This work is expected to provide broad implications for the rational design of substrate-supported single-atom catalysts with superior performance and lower cost by surface modification and acidic and alkaline environment regulation.
Topics & Concepts
PeroxidaseRational designCatalysisAtom (system on chip)ChemistryCombinatorial chemistryNanotechnologyComputational chemistryMaterials scienceComputer scienceEnzymeBiochemistryEmbedded systemAdvanced Nanomaterials in CatalysisElectrochemical sensors and biosensorsNanocluster Synthesis and Applications