一般注記The adsorption of borohydride on 3d transition metals (Cr, Mn, Fe, Co, Ni and Cu) was studied using first principles calculations within spin-polarized density functional theory. Magnetic effect on the stability of borohydride is noted. Molecular adsorption is favorable on Co, Ni and Cu, which is characterized by the strong s-dzz hybridization of the adsorbate-substrate states. Dissociated adsorption structure yielding one or two H adatom fragments on the surface is observed for Cr, Mn and Fe.
一次資料へのリンクURLhttps://u-fukui.repo.nii.ac.jp/?action=repository_action_common_download&item_id=21885&item_no=1&attribute_id=22&file_no=1
関連情報(DOI)10.1016/j.susc.2012.08.004
連携機関・データベース国立情報学研究所 : 学術機関リポジトリデータベース(IRDB)(機関リポジトリ)