84 citations · 156 across the 7 of their papers we have counts for
8 papers
Engineering Electrochromism in Ni-Deficient NiO through Defect, Dopant, and Strain Coupling
Katarina Jakovljević, Ana S. Dobrota, Igor A. Pašti +1
The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Us…
Boron-doped graphene -- DFT study of the role of dopant concentration and oxidation on sodium and aluminium storage applications
Milica S. Ritopečki, Natalia V. Skorodumova, Ana S. Dobrota +1
Graphene is thought to be a promising materials for many applications. However, pristine graphene is not suitable for most electrochemical devices, where defect engineering is cruc…
Electrochromism of Ni-deficient nickel oxide -- Theoretical justification
Igor A. Pašti, Ana S. Dobrota, Dmitri Migas +2
The development of new electrochromic materials and devices, like smart windows, has an enormous impact on the energy efficiency of modern society. One of the crucial materials in…
On the reactivity of low coordinated atoms on foreign solid substrates as models of single atom catalysts
A. S. Dobrota, I. A. Pašti, A. Z. Jovanović +2
Catalysis has entered everyday life through a number of technological processes relying on different catalytic systems. The increasing demand for such systems requires rationalizat…
When supporting electrolyte matters - tuning capacitive response of graphene oxide via electrochemical reduction in alkali and alkaline earth metal chlorides
Dalibor Karačić, Selma Korać, Igor A. Pašti +1
The ability to tune charge storage properties of graphene oxide (GO) is of utmost importance for energy conversion applications. Here we show that electrochemical reduction of GO i…
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…
Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping - Theoretical study
Aleksandar Jovanović, Milena Petković, Igor A. Pašti +2
Oxide materials offer a wide range of interesting physical and chemical properties. Even more versatile behavior of oxides is seen at the nanoscale, qualifying these materials for…
Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals
Igor A. Pašti, Aleksandar Jovanović, Ana S. Dobrota +3
The understanding of atomic adsorption on graphene is of high importance for many advanced technologies. Here we present a complete database of the atomic adsorption energies for t…