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

Yosuke Kanai, Giancarlo Cicero, Annabella Selloni, Roberto Car, Giulia Galli

Research output: Contribution to journalArticlepeer-review

19 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)13656-13662
Number of pages7
JournalJournal of Physical Chemistry B
Issue number28
StatePublished - Jul 21 2005

All Science Journal Classification (ASJC) codes

  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry


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