Browsing by Author "Kutlu, B."

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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 ...
BH4 dissociation on various metal (111) surfaces: A DFT study

Akça, Aykan; Genc, A. E.; Kutlu, B. (Elsevıer Scıence Bv, 2019)

In this study, the catalytic effect of various metal surfaces on the sequential decomposition of BH4 molecule has been studied by Density Functional Theory (DFT) for the first time. For this purpose, the sequential ...