Hydrogen adsorption of novel N-doped carbon nanotubes functionalized with scandium

• المؤلف الرئيسي: Mananghaya, Michael
• التنسيق: text
• منشور في: Animo Repository 2015
• الموضوعات: Carbon nanotubes; Scandium; Binding energy; Porphyrins; Density functionals; Chemical Engineering
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/2208; https://animorepository.dlsu.edu.ph/context/faculty_research/article/3207/type/native/viewcontent
• المؤسسة: De La Salle University

The implementation and effectiveness of the ability of Nitrogen doped Carbon Nanotube with divacancy (4ND-CNxNT) that is decorated with Sc for Hydrogen adsorption was evaluated with the aide of spin-unrestricted Density Functional Theory formalism. The composite material Sc/4ND-CNxNT has an excellen...