Potential and Performances of C70, Si70, CNT(5, 0) and SiNT(5, 0) as ORR and OER Catalysts.

Autor: Ali, Eyhab, Zaidi, Muhaned, Batoo, Khalid Mujasam, Hussain, Sajjad, Almulla, Ausama A., Dawood, Ahmed Abd Al-Sattar, Al-Musawi, Sada Ghalib, Ramadan, Montather F., Hamood, Sarah A., Al-Abdeen, Salah Hassan Zain, Zabibah, Rahman S., Alsalamy, Ali
Zdroj: SILICON (1876990X); Feb2024, Vol. 16 Issue 3, p1231-1236, 6p
Abstrakt: Here, the potential of Zn doped carbon nanostructures and Zn doped silicon nanostructures to catalyze the OER and ORR processes is investigated by theoretical methods. The O*, H*, *OH, *OOH, O2 and H2O species are adsorbed on Zn-CNT(5, 0) and Zn-SiNT(5, 0). The potential-determining steps on catalysts are *OH removal and *OOH formation. The overpotential of ORR are 1.01, 0.96, 1.13 and 1.10 V, respectively. The H2O is adsorbed on Zn-C70, Zn-Si70, Zn-CNT(5, 0) and Zn-SiNT(5, 0) catalysts physically. The H2O can desorb on on Zn-C70, Zn-Si70 and Zn-CNT(5, 0) catalysts, easily. The overpotential for OER are 1.15, 1.09, 1.25 and 1.20 V, respectively. The Zn-SiNT(5, 0) catalyst has lower overpotential values than Zn-C70, Zn-Si70 and Zn-CNT(5, 0) catalysts. The Zn-SiNT(5, 0) with acceptable catalytic activity is proposed to catalyze the ORR and OER processes. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
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