Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes: A theoretical study

• المؤلفون الرئيسيون: Moreno, Joaquin Lorenzo Valmoria, Kasai, Koichiro, David, Melanie Yadao, Nakanishi, Hiroshi, Kasai, Hideaki
• التنسيق: text
• منشور في: Animo Repository 2009
• الموضوعات: Hydrogen peroxide; Carbon nanotubes; Density functionals; Proton exchange membrane fuel cells; Cell membranes; Physics
• الوصول للمادة أونلاين: https://animorepository.dlsu.edu.ph/faculty_research/3799; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4801/type/native/viewcontent/064219.html

We investigated the adsorption of hydrogen peroxide molecules on Fe-filled single-walled carbon nanotubes (SWNTs) based on density functional theory (DFT) calculations. The adsorption possibilities for the hydrogen peroxide molecule were tested by finding the minimum energy as a function of distance...