Browsing by Author "Genç, A.E."

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The activation of B-H bonds in borohydride on Cu(100) and Cu (110) surfaces

Akça, Aykan; Genç, A.E.; Kutlu, B. (Elsevier, 2021)

In this study, the dehydrogenation of borohydride (BH4) on Cu(1 0 0) and Cu(1 1 0) surfaces has been studied using Density-Functional Theory (DFT) method. First, the adsorption geometries and energies of BHx species and H ...