84 citations · 101 across the 5 of their papers we have counts for
5 papers
Reactivity of Stone-Wales defect in graphene lattice -- DFT study
Aleksandar Z. Jovanović, Ana S. Dobrota, Natalia V. Skorodumova +1
Understanding the reactivity of carbon surfaces is crucial for the development of advanced functional materials. In this study, we systematically investigate the reactivity of grap…
Reactivity screening of single atoms on modified graphene surface -- From formation and scaling relations to catalytic activity
Aleksandar Z. Jovanović, Slavko V. Mentus, Natalia V. Skorodumova +1
Single atom catalysts (SACs) present the ultimate level of catalyst utilization, which puts them in the focus of current research. For this reason, their understanding is crucial f…
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…
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…