Synthetically tuned atomic ordering and electronic properties of nano-intermetallic compounds for the ammonia synthesis.
Intermetallic compounds (IMCs) exhibit unique structural features accompanied by appropriate changes in the electronic properties. IMCs with their unique magnetic and electric properties have been studied for the superconductivity, shape-memory effects, hydrogen storage capability and for topological insulator applications. However, their catalytic properties have been overlooked so far compared to metals and alloys. These electronically and geometrically tuned structures were found to be excellent catalysts for selected chemical reactions such as semi-hydrogenation of alkynes, hydrogenation of CO and CO2 and unsaturated compounds. Only few works exist on IMCs in the activation of inert molecule N2 but they appear to be promising in this direction.  Activation of N2 is a significant step in the synthesis of ammonia (NH3). Even after 100 years of discovery, the same old high-energy consuming Fe based catalytic process is still operated commercially.5 The absence of significant success towards a further development of Fe based catalysts stipulates to look at alternative totally different catalysts. In this regard, Ruthenium(Ru) based catalyst supported on carbon emerged as second-generation catalysts for the ammonia synthesis at the end of 20th  century.6 Considering the high cost of Ru for commercialization, further research and development towards the design of less costly catalysts is necessary.  In this project, we propose to explore and evaluate nano intermetallic compounds for the activation of N2 molecule, thereby supporting the efficiency and competiveness towards ammonia synthesis. The main objective of the project is to design, optimize and explore the potentiality of novel nano Intermetallic Compound (IMC) supported catalysts for the NH3 synthesis. This project will in particular study the role of electronic and geometrical factors displayed by IMCs in the catalytic process through various characterization techniques including the in situ and operando.