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cond-mat.mtrl-sci2018
Structural and electronic properties of V2O5 and their tuning by doping with 3d elements - Modelling with DFT+U method and dispersion correction
A. Jovanović, A. S. Dobrota, L. D. Rafailović +4
New electrode materials for alkaline-ion batteries are a timely topic. Among many promising candidates, V2O5 is one of the most interesting cathode materials. While having very hig…
cond-mat.mtrl-sci2017★ 106 cited
Atomic adsorption on graphene with a single vacancy: systematic DFT study through the Periodic Table of Elements
Igor A. Pašti, Aleksandar Jovanović, Ana S. Dobrota +3
Vacancies in graphene present sites of altered chemical reactivity and open possibilities to tune graphene properties by defect engineering. The understanding of chemical reactivit…