@ARTICLE{
author={Dobrota Ana S,Jovanovic Aleksandar Z,Johansson Borje,Skorodumova Natalia V,Pasti Igor A},
year={2026},
title={On the Reactivity Descriptors of Low-Coordinated Atoms on Foreign Solid Substrates as Models of Single-Atom Catalysts},
journal={CATALYSTS},
volume={16},
number={3},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Novcic Katarina A,Dobrota Ana S,Petkovic Milena M,Johansson Borje,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2020},
title={Theoretical analysis of doped graphene as cathode catalyst in Li-O-2 and Na-O-2 batteries - the impact of the computational scheme},
journal={ELECTROCHIMICA ACTA},
volume={354},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Pasti Igor A,Mentus Slavko V,Johansson Borje,Skorodumova Natalia V},
year={2020},
title={Altering the reactivity of pristine, N- and P-doped graphene by strain engineering: A DFT view on energy related aspects},
journal={APPLIED SURFACE SCIENCE},
volume={514},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Diklic Natasa P,Dobrota Ana S,Pasti Igor A,Mentus Slavko V,Johansson Borje,Skorodumova Natalia V},
year={2019},
title={Sodium storage via single epoxy group on graphene - The role of surface doping},
journal={ELECTROCHIMICA ACTA},
volume={297},
number={},
pages={523-528},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Aleksandar Z,Petkovic Milena M,Pasti Igor A,Johansson Borje,Skorodumova Natalia V},
year={2018},
title={Tuning the electronic and chemisorption properties of hexagonal MgO nanotubes by doping - Theoretical study},
journal={APPLIED SURFACE SCIENCE},
volume={457},
number={},
pages={1158-1166},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Aleksandar Z,Dobrota Ana S,Rafailovic Lidija D,Mentus Slavko V,Pasti Igor A,Johansson Borje,Skorodumova Natalia V},
year={2018},
title={Structural and electronic properties of V2O5 and their tuning by doping with 3d elements - modelling using the DFT plus U method and dispersion correction},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={20},
number={20},
pages={13934-13943},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Johansson Borje,Skorodumova Natalia V},
year={2018},
title={Tunable reactivity of supported single metal atoms by impurity engineering of the MgO(001) support},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={20},
number={9},
pages={6337-6346},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Jovanovic Aleksandar Z,Dobrota Ana S,Mentus Slavko V,Johansson Borje,Skorodumova Natalia V},
year={2018},
title={Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals},
journal={APPLIED SURFACE SCIENCE},
volume={436},
number={},
pages={433-440},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Jovanovic Aleksandar Z,Dobrota Ana S,Mentus Slavko V,Johansson Borje,Skorodumova Natalia V},
year={2018},
title={Atomic adsorption on graphene with a single vacancy: systematic DFT study through the periodic table of elements},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={20},
number={2},
pages={858-865},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Pasti Igor A,Mentus Slavko V,Johansson Borje,Skorodumova Natalia V},
year={2017},
title={Functionalized graphene for sodium battery applications: the DFT insights},
journal={ELECTROCHIMICA ACTA},
volume={250},
number={},
pages={185-195},
document_type={Article},
}