Nitrogen substitution and vacancy mediated scandium metal adsorption on carbon nanotubes

• Main Authors: Mananghaya, Michael Rivera, Santos, Gil Nonato C., Yu, Dennis
• Format: text
• Published: Animo Repository 2017
• Subjects: Nitrogen; Scandium; Carbon nanotubes; Adsorption; Electronic structure; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1423; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2422/type/native/viewcontent
• Institution: De La Salle University

First-principle calculation reveals that N containing carbon nanotubes (CNTs) can support the functionalization of transition metals such as Sc on the CNT surface. For N-substituted CNTs without a vacancy, the enhanced adsorption results from large electron affinity difference of the N adjacent to C...