Defective 2D silicon phosphide monolayers for the nitrogen reduction reaction: a DFT study
Zhongyuan Guo, Tianyi Wang, Haikun Liu, Siyao Qiu, Xiaoli Zhang, Yongjun Xu, Steven J. Langford, Chenghua Sun
Abstract
side-products. This research demonstrates the potential of 2D metal-free Si-based catalysts for nitrogen fixation and further enriches the study of group IV-V materials for the ENRR.
Topics & Concepts
PhosphideMonolayerCatalysisMaterials scienceSubstrate (aquarium)Density functional theorySiliconNitrogenElectrochemistryChemical engineeringChemistryPhotochemistryNanotechnologyPhysical chemistryComputational chemistryOptoelectronicsOrganic chemistryElectrodeEngineeringGeologyOceanographyAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials