H2 adsorption on K decorated germanene surface: An ab-initio investigation

• Main Authors: Rojas, Kurt Irvin M., Villagracia, Al Rey C., Arboleda, Nelson B., Jr.
• 格式: text
• 出版: Animo Repository 2016
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/835; https://animorepository.dlsu.edu.ph/context/faculty_research/article/1834/type/native/viewcontent

© 2016 IOP Publishing Ltd. The hydrogen physisorption on K-decorated germanene as potential hydrogen storage was calculated using DFT through VASP. Various approach sites and initial orientations for the H2 were considered for the adsorption. It was found that H2, with a vertical orientation, approa...