Browsing Faculty of Engineering by Subject "Transition metal doping"

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Insights on hydrogen evolution reaction in transition metal doped monolayer TcS2 from density functional theory calculations

Ouma, Cecil Naphtaly Moro; Bessarabov, Dmitri; Obodo, Kingsley Onyebuchi; Braun, Moritz; Amolo, George Odhiambo (Elsevier, 2019)

The catalytic activity for hydrogen evolution reaction (HER) in monolayer TcS2 has been investigated using vander Waals corrected density functional theory. Also, the influence of transition metal dopants (Fe, Co, Ni, Pd ...