Avstämbara katalytiska egenskaper hos nya material för förnybar energi
Tidsperiod: 2015-01-01 till 2017-12-31
Projektledare: Rajeev Ahuja
Medarbetare: Rajeev Ahuja, Sudip Chakraborty, Paulo Cesar Piquini
Budget: 750 000 SEK
The hydrogen economy is elucidated as developing the alternate sources of clean and sustainable energy to commensurate the increasing demand of energy and declining supply of environment affecting fossil fuels. Sweden targets to become the world´s first oil-free economy before 2020 by replacing fossil fuel consumption. Hydrogen can be playing a key role in achieving the zero-oil goal of this country and most of the transport companies in this region will be immensely benefitted from it. The present proposal aims at understanding the fundamental catalytic pathways of water splitting on metallic nanoclusters, their alloys and perovskites materials to generate Hydrogen in a systematic manner. Nanoparticles have become promising candidates for efficient heterogeneous catalysis in recent years due to their high surface to volume ratio. The important demarcation between studying reactions on a finite cluster compared to a periodic infinite surface is that clusters often present chemically active coordination sites, which are not present on an extended surface. Nanoalloys have the potential due to the synergic effect and the rich diversity of possible components. One can tune the size, compositions and chemical ordering to control physical, chemical and catalytic properties. The peculiar surface and bulk geometries, different chemical ordering, and the determination of chemisorption sites on nanoalloys make theoretical and computational studies both challenging and exciting.