Tailoring 2-electron oxygen reduction reaction selectivity on h-BN-based single-atom catalysts from superoxide dismutase: A DFT investigation
Yu Zou, Xiangyu Guo, Xiaoqiong Bian, Yongfan Zhang, Wei Lin, Shuping Huang, Zhongfang Chen, Kaining Ding
Topics & Concepts
CatalysisDensity functional theoryChemistryOverpotentialSuperoxide dismutaseHydrogen peroxideBoron nitrideSelectivityPhotochemistryPhysical chemistryComputational chemistryOrganic chemistryEnzymeElectrochemistryElectrodeElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceAdvanced Photocatalysis Techniques