First principles studies of adsorption, diffusion and reactivity of nanoclusters on surfaces

Abstract

Catalysts are vital to our existence. Without them, most products that we use like medicines, polymers, perfumes, fabrics, lubricants, etc. would not be available to us. Catalysts are materials that make a chemical reaction more favorable to proceed by providing an alternative pathway with a lower activation barrier. Any advances in producing new or improved catalysts represent signi cant progress, both intellectually and economically. A few of the desired properties in an improved catalyst are a longer lifetime, being cheaper, and/or being more e ective (by lowering the activation barriers further) than existing catalysts. When making any improvement in these catalysts, one should also keep in mind environmental demands, and always try to replace a polluting chemical reaction with an environmentally friendly alternative.