A theoretical study of biotin chemisorption on Si-SiC(001) surfaces

Biotin is a promising candidate for functionalization of semiconducting surfaces, given its strong, unmatched affinity to specific proteins such as streptavidin and avidin. Using density functional theory, we have carried out a theoretical investigation of the structural and electronic properties of biotin chemisorbed on a biocompatible substrate; in particular we have considered the clean and hydroxylated Si-SiC(001) surfaces. Our calculations show that, upon chemisorption, biotin retains the electronic properties responsible for its strong affinity to proteins. While the electronic states of the hydroxylated surface undergo negligible changes in the presence of the molecule, those of the clean surface are considerably affected.