First-principles study of interaction of lithium atoms with H-adsorbed (3, 3) single-walled carbon nanotube

التفاصيل البيبلوغرافية
العنوان: First-principles study of interaction of lithium atoms with H-adsorbed (3, 3) single-walled carbon nanotube
المؤلفون: Shun-Fu Xu, Guang Yuan, Zhi-Jun Jia, Lin-Peng Li
المصدر: IVESC 2012.
بيانات النشر: IEEE, 2012.
سنة النشر: 2012
مصطلحات موضوعية: Materials science, Hydrogen, Inorganic chemistry, chemistry.chemical_element, Carbon nanotube, law.invention, Adsorption, chemistry, Chemical engineering, law, Vacancy defect, Lithium, Density functional theory, Carbon, Lithium atom
الوصف: In this paper, we have employed density functional theory to investigate the adsorption mechanisms of one lithium atom on sidewalls of H-adsorbed (3, 3) single-walled carbon nanotubes (SWCNTs) which have vacancy defects. An understanding of influence of hydrogen adsorption and vacancy defects on lithium adsorption is obtained.
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d9c1a3b453b429751939ae2852f8d2a5
https://doi.org/10.1109/ivesc.2012.6264194
رقم الأكسشن: edsair.doi...........d9c1a3b453b429751939ae2852f8d2a5
قاعدة البيانات: OpenAIRE