37 citations · 94 across the 7 of their papers we have counts for
7 papers
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…
Electronic Structure and Magnetism of the Triple-layered Ruthenate SrRuO
G. Gebreyesus, Prosper Ngabonziza, Jonah Nagura +3
We report electronic band structure calculations for SrRuO that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find t…
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…
Competing Antiferromagnetic and Spin-Glass Phases in a Hollandite Structure
Y. Crespo, A. Andreanov, N. Seriani
We introduce a simple lattice model with Ising spins to explain recent experimental results on spin freezing in a hollandite-type structure. We argue that geometrical frustration o…
Dissociative adsorption of methane on surface oxide structures of Pd-Pt alloys
Arezoo Dianat, Nicola Seriani, Lucio Colombi Ciacchi +3
The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt surfaces is investigated using density-functional theory, as a step towards understanding the combusti…