Nitrogen Substitution and Vacancy Mediated Scandium Metal Adsorption on Carbon Nanotubes

• المؤلفون الرئيسيون: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis
• التنسيق: text
• منشور في: Archīum Ateneo 2017
• الموضوعات: Adsorption; Computer modelling and simulation; Electronic structure; Nanostructures; Physics
• الوصول للمادة أونلاين: https://archium.ateneo.edu/physics-faculty-pubs/107; https://link.springer.com/article/10.1007/s10450-017-9901-6

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...