p-Block element-doped silicon nanowires for nitrogen reduction reaction: a DFT study
Zhongyuan Guo, Lakshitha Jasin Arachchige, Siyao Qiu, Xiaoli Zhang, Yongjun Xu, Steven J. Langford, Chenghua Sun
Abstract
B-doping on 1D SiNWs can reduce N 2 into NH 3 with an ultralow overpotential of 0.34 V and suppressed HER performance.
Topics & Concepts
Materials scienceSiliconDopingNanowireReduction (mathematics)Block (permutation group theory)Silicon nanowiresNitrogenNanotechnologyChemical engineeringOptoelectronicsChemistryOrganic chemistryEngineeringMathematicsGeometryAmmonia Synthesis and Nitrogen ReductionCatalytic Processes in Materials ScienceAdvanced Photocatalysis Techniques