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document
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Habibi, P. (author), Saji, Tijin H.G. (author), Vlugt, T.J.H. (author), Moultos, O. (author), Dey, P. (author)
Lithium (Li) dopants have garnered attention as a means to enhance hydrogen (H<sub>2</sub>) binding energies and capacities in 2D boron-based materials. However, it is unclear if and how these dopants affect H<sub>2</sub> dissociation and chemisorption. Using density functional theory (DFT) and nudged elastic band (NEB) calculations, reaction...
journal article 2022
Source URL (retrieved on 2024-05-22 06:37): https://repository.tudelft.nl/islandora/search/%20?collection=research&sort=mods_genre_s%20desc&display=tud_default&f%5B0%5D=mods_genre_s%3A%22journal%5C%20article%22&f%5B1%5D=mods_name_personal_author_namePart_family_ss%3A%22Vlugt%22&f%5B2%5D=mods_subject_topic_ss%3A%22Borophene%5C%20hydride%22