Designing an alkali-metal-like superatom Ca<sub>3</sub>B for ambient nitrogen reduction to ammonia
Xiaoling Zhang, Ya‐Ling Ye, Li Zhang, Xianghui Li, Dan Yu, Jinghua Chen, Wei‐Ming Sun
Abstract
An alkali-metal-like superatom Ca 3 B was theoretically designed and further used as a potential catalyst for nitrogen reduction under mild conditions.
Topics & Concepts
SuperatomAlkali metalNitrogenAmmoniaChemistryMetalInorganic chemistryReduction (mathematics)Computational chemistryOrganic chemistryElectronic structureMathematicsGeometryAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and MaterialsMXene and MAX Phase Materials