37 citations · 94 across the 7 of their papers we have counts for
4 papers · 1 filter
Unveiling the origin of the capacity fade in MnO zinc-ion battery cathodes through an analysis of the Mn vacancy formation
Caio M. Miliante, Kevin J. Sanders, Liam J. McGoldrick +5
Currently explored rechargeable aqueous zinc-ion battery (RAZIB) cathode materials, such as -MnO, suffer from severe capacity fade when cycling at rates appropriate for gr…
Origin and properties of the flat band in NbOCl2 monolayer
Mohammad Ali Mohebpour, Sahar Izadi Vishkayi, Valerio Vitale +2
The existence of a flat band near the Fermi level can be a suitable platform for the emergence of interesting phenomena in condensed matter physics. Recently, NbOCl2 monolayer has…
Graphyne as the anode material of magnesium-ion batteries: ab initio study
E. Shomali, I. Abdolhosseini Sarsari, F. Tabatabaei +2
Graphyne, a single atomic layer structure of the carbon six-member rings connected by one acetilenic linkage, is a promising anode of rechargeable batteries. In this paper, a first…
Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces
Arezoo Dianat, Janina Zimmermann, Nicola Seriani +3
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles…