@ARTICLE{
author={Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A},
year={2026},
title={Atomic adsorption on h-BN along the periodic table of elements - From pristine surface to vacancy-engineered sites},
journal={FLATCHEM},
volume={58},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A},
year={2026},
title={Defect-engineered h-BN as a platform for single-atom HER catalysts: descriptor-based screening refined by electrochemical stability analysis},
journal={ELECTROCHIMICA ACTA},
volume={569},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Zhou Xin,Denisov Nikita,Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A,Kim Hyesung,Schmuki Patrik},
year={2026},
title={Light-Induced Dispersion of Pd Single Atoms Provides Steady-State-Stabilized Activity for Photocatalytic H2 Generation},
journal={ANGEWANDTE CHEMIE-INTERNATIONAL EDITION},
volume={},
number={},
pages={-},
document_type={Article; Early Access},
} 

@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={Velickovic Nikola S,Skorodumova Natalia V,Dobrota Ana S},
year={2026},
title={A DFT study of B-doped graphene as a metal anchor: effects of oxidation and strain},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={},
number={},
pages={-},
document_type={Article; Early Access},
} 

@ARTICLE{
author={Jung Hayoon,Cha Gihoon,Kim Hyesung,Will Johannes,Zhou Xin,Bad 'ura Zdenek,Zoppellaro Giorgio,Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A,Sarma Bidyut Bikash,Schmidt Jochen,Spiecker Erdmann,Breu Josef,Schmuki Patrik},
year={2025},
title={Cation Vacancies in Ti-Deficient TiO2 Nanosheets Enable Highly Stable Trapping of Pt Single Atoms for Persistent Photocatalytic Hydrogen Evolution},
journal={SMALL},
volume={},
number={},
pages={-},
document_type={Article; Early Access},
} 

@ARTICLE{
author={Krstajic-Pajic Mila N,Dobrota Ana S,Mazare Anca,Djurdjic Sladjana Z,Zhou Xin,Denisov Nikita,Skorodumova Natalia V,Manojlovic Dragan D,Vasilic Rastko,Pasti Igor A,Schmuki Patrik,Lacnjevac Uros C},
year={2025},
title={Polydisperse Pt Deposits Over TiO2-Nanotube-Array-Supported Ru Nanoparticles: Harnessing the Interfacial Synergy for Efficient Hydrogen Evolution Electrocatalysis},
journal={SMALL},
volume={},
number={},
pages={-},
document_type={Article; Early Access},
} 

@ARTICLE{
author={Ritopecki Milica S,Skorodumova Natalia V,Dobrota Ana S,Pasti Igor A},
year={2023},
title={Density Functional Theory Analysis of the Impact of Boron Concentration and Surface Oxidation in Boron-Doped Graphene for Sodium and Aluminum Storage},
journal={C-JOURNAL OF CARBON RESEARCH},
volume={9},
number={4},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Aleksandar Z,Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A},
year={2023},
title={Reactivity of Stone-Wales defect in graphene lattice - DFT study},
journal={FLATCHEM},
volume={42},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Neumueller Daniela,Rafailovic Lidija D,Jovanovic Aleksandar Z,Skorodumova Natalia V,Pasti Igor A,Lassnig Alice,Griesser Thomas,Gammer Christoph,Eckert Juergen},
year={2023},
title={Hydrogen Evolution Reaction on Ultra-Smooth Sputtered Nanocrystalline Ni Thin Films in Alkaline Media-From Intrinsic Activity to the Effects of Surface Oxidation},
journal={NANOMATERIALS},
volume={13},
number={14},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Krstajic-Pajic Mila N,Dobrota Ana S,Mazare Anca,Djurdjic Sladjana Z,Hwang Imgon,Skorodumova Natalia V,Manojlovic Dragan D,Vasilic Rastko,Pasti Igor A,Schmuki Patrik,Lacnjevac Uros C},
year={2023},
title={Activation of Osmium by the Surface Effects of Hydrogenated TiO2 Nanotube Arrays for Enhanced Hydrogen Evolution Reaction Performance},
journal={ACS APPLIED MATERIALS & INTERFACES},
volume={15},
number={26},
pages={31459-31469},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Dobrota Ana S,Migas Dmitri B,Johansson Boerje,Skorodumova Natalia V},
year={2023},
title={Theoretical analysis of electrochromism of Ni-deficient nickel oxide - from bulk to surfaces},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={25},
number={11},
pages={7974-7985},
document_type={Article},
} 

@ARTICLE{
author={Nedic-Vasiljevic Bojana M,Jovanovic Aleksandar Z,Mentus Slavko V,Skorodumova Natalia V,Pasti Igor A},
year={2023},
title={Galvanic displacement of Co with Rh boosts hydrogen and oxygen evolution reactions in alkaline media},
journal={JOURNAL OF SOLID STATE ELECTROCHEMISTRY},
volume={27},
number={7},
pages={1877-1887},
document_type={Article},
} 

@ARTICLE{
author={Denisov Nikita,Qin Shanshan,Will Johannes,Nedic-Vasiljevic Bojana M,Skorodumova Natalia V,Pasti Igor A,Sarma Bidyut Bikash,Osuagwu Benedict,Yokosawa Tadahiro,Voss Johannes,Wirth Janis,Spiecker Erdmann,Schmuki Patrik},
year={2023},
title={Light-Induced Agglomeration of Single-Atom Platinum in Photocatalysis},
journal={ADVANCED MATERIALS},
volume={35},
number={5},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Gebremariam Goitom Kfle,Jovanovic Aleksandar Z,Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A},
year={2022},
title={Hydrogen Evolution Volcano(es)-From Acidic to Neutral and Alkaline Solutions},
journal={CATALYSTS},
volume={12},
number={12},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Ritopecki Milica S,Dobrota Ana S,Skorodumova Natalia V,Pasti Igor A},
year={2022},
title={The Local Coordination Effects on the Reactivity and Speciation of Active Sites in Graphene-Embedded Single-Atom Catalysts over Wide pH and Potential Range},
journal={NANOMATERIALS},
volume={12},
number={23},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Vlahovic Jovana,Skorodumova Natalia V,Pasti Igor A},
year={2022},
title={First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons - from adatom bonding to various},
journal={MATERIALS TODAY COMMUNICATIONS},
volume={31},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Aleksandar Z,Bijelic Lazar,Dobrota Ana S,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2022},
title={Enhancement of hydrogen evolution reaction kinetics in alkaline media by fast galvanic displacement of nickel with rhodium-From smooth surfaces to electrodeposited nickel foams},
journal={ELECTROCHIMICA ACTA},
volume={414},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Karacic Dalibor,Gutic Sanjin J,Vasic Borislav Z,Mirsky Vladimir M,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2022},
title={<p>Electrochemical reduction of thin graphene-oxide films in aqueous solutions - Restoration of conductivity</p>},
journal={ELECTROCHIMICA ACTA},
volume={410},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2022},
title={Surface pourbaix plots of M@N-4-graphene single-atom electrocatalysts from density functional theory thermodynamic modeling},
journal={ELECTROCHIMICA ACTA},
volume={412},
number={},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Djokic Tanja,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2021},
title={What Is the Real State of Single-Atom Catalysts under Electrochemical Conditions-From Adsorption to Surface Pourbaix Plots?},
journal={CATALYSTS},
volume={11},
number={10},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Milikic Jadranka N,Martins Marta,Dobrota Ana S,Bozkurt Gamze,Soylu Gulin SP,Yurtcan Ayse B,Skorodumova Natalia V,Pasti Igor A,Sljukic Biljana R,Santos Diogo MF},
year={2021},
title={A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction},
journal={JOURNAL OF ENERGY CHEMISTRY},
volume={55},
number={},
pages={428-436},
document_type={Article},
} 

@ARTICLE{
author={Jovanovic Aleksandar Z,Mentus Slavko V,Skorodumova Natalia V,Pasti Igor A},
year={2021},
title={Reactivity Screening of Single Atoms on Modified Graphene Surface: From Formation and Scaling Relations to Catalytic Activity},
journal={ADVANCED MATERIALS INTERFACES},
volume={8},
number={8},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Lacnjevac Uros C,Vasilic Rastko,Dobrota Ana S,Djurdjic Sladjana Z,Tomanec Ondrej,Zboril Radek,Mohajernia Shiva,Nhat Truong Nguyen,Skorodumova Natalia V,Manojlovic Dragan D,Elezovic Nevenka R,Pasti Igor A,Schmuki Patrik},
year={2020},
title={High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO2 nanotube arrays as interactive supports for Ir nanoparticles},
journal={JOURNAL OF MATERIALS CHEMISTRY A},
volume={8},
number={43},
pages={22773-22790},
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={Batalovic Katarina D,Radakovic Jana S,Bundaleski Nenad K,Rakocevic Zlatko Lj,Pasti Igor A,Skorodumova Natalia V,Rangel CM},
year={2020},
title={Origin of photocatalytic activity enhancement in Pd/Pt-deposited anatase N-TiO2- experimental insights and DFT study of the (001) surface},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={22},
number={33},
pages={18536-18547},
document_type={Article},
} 

@ARTICLE{
author={Gutic Sanjin J,Dobrota Ana S,Fako Edvin,Skorodumova Natalia V,Lopez Nuria,Pasti Igor A},
year={2020},
title={Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts},
journal={CATALYSTS},
volume={10},
number={3},
pages={-},
document_type={Review},
} 

@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={Rafailovic Lidija D,Gammer Christoph,Ebner Christian,Rentenberger Christian,Jovanovic Aleksandar Z,Pasti Igor A,Skorodumova Natalia V,Karnthaler Peter H},
year={2019},
title={High density of genuine growth twins in electrodeposited aluminum},
journal={SCIENCE ADVANCES},
volume={5},
number={10},
pages={-},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Fako Edvin,Dobrota Ana S,Lopez Nuria,Skorodumova Natalia V,Mentus Slavko V},
year={2019},
title={Atomically Thin Metal Films on Foreign Substrates: From Lattice Mismatch to Electrocatalytic Activity},
journal={ACS CATALYSIS},
volume={9},
number={4},
pages={3467-3481},
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={Karacic Dalibor,Korac Selma,Dobrota Ana S,Pasti Igor A,Skorodumova Natalia V,Gutic Sanjin J},
year={2019},
title={When supporting electrolyte matters - Tuning capacitive response of graphene oxide via electrochemical reduction in alkali and alkaline earth metal chlorides},
journal={ELECTROCHIMICA ACTA},
volume={297},
number={},
pages={112-117},
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={Gavrilov Nemanja M,Momcilovic Milan Z,Dobrota Ana S,Stankovic Dalibor M,Jokic Bojan M,Babic Biljana M,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2018},
title={A study of ordered mesoporous carbon doped with Co and Ni as a catalyst of oxygen reduction reaction in both alkaline and acidic media},
journal={SURFACE & COATINGS TECHNOLOGY},
volume={349},
number={},
pages={511-521},
document_type={Article},
} 

@ARTICLE{
author={Chanda Debabrata,Dobrota Ana S,Hnat Jaromir,Sofer Zdenek,Pasti Igor A,Skorodumova Natalia V,Paidar Martin,Bouzek Karel},
year={2018},
title={Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium},
journal={INTERNATIONAL JOURNAL OF HYDROGEN ENERGY},
volume={43},
number={27},
pages={12129-12139},
document_type={Article},
} 

@ARTICLE{
author={Lazarevic-Pasti Tamara D,Anicijevic Vladan J,Baljozovic Milos R,Vasic-Anicijevic Dragana D,Gutic Sanjin J,Vasic Vesna M,Skorodumova Natalia V,Pasti Igor A},
year={2018},
title={The impact of the structure of graphene-based materials on the removal of organophosphorus pesticides from water},
journal={ENVIRONMENTAL SCIENCE-NANO},
volume={5},
number={6},
pages={1482-1494},
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={Nilsson Johan O,Leetmaa Mikael,Wang Baochang,Zguns Pjotrs A,Pasti Igor A,Sandell Anders,Skorodumova Natalia V},
year={2018},
title={Modeling Kinetics of Water Adsorption on the Rutile TiO2 (110) Surface: Influence of Exchange-Correlation Functional},
journal={PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS},
volume={255},
number={3},
pages={-},
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={Fako Edvin,Dobrota Ana S,Pasti Igor A,Lopez Nuria,Mentus Slavko V,Skorodumova Natalia V},
year={2018},
title={Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={20},
number={3},
pages={1524-1530},
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},
} 

@ARTICLE{
author={Gutic Sanjin J,Dobrota Ana S,Leetmaa Mikael,Skorodumova Natalia V,Mentus Slavko V,Pasti Igor A},
year={2017},
title={Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={19},
number={20},
pages={13281-13293},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Pasti Igor A,Mentus Slavko V,Skorodumova Natalia V},
year={2017},
title={A DFT study of the interplay between dopants and oxygen functional groups over the graphene basal plane - implications in energy-related applications},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={19},
number={12},
pages={8530-8540},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Gutic Sanjin J,Kalijadis Ana M,Baljozovic Milos R,Mentus Slavko V,Skorodumova Natalia V,Pasti Igor A},
year={2016},
title={Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups - implications in charge storage applications},
journal={RSC ADVANCES},
volume={6},
number={63},
pages={57910-57919},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Pasti Igor A,Mentus Slavko V,Skorodumova Natalia V},
year={2016},
title={A general view on the reactivity of the oxygen-functionalized graphene basal plane},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={18},
number={9},
pages={6580-6586},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Skorodumova Natalia V},
year={2016},
title={Structural, electronic, magnetic and chemical properties of B-, C- and N-doped MgO(001) surfaces},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={18},
number={1},
pages={426-435},
document_type={Article},
} 

@ARTICLE{
author={Dobrota Ana S,Pasti Igor A,Skorodumova Natalia V},
year={2015},
title={Oxidized graphene as an electrode material for rechargeable metal-ion batteries - a DFT point of view},
journal={ELECTROCHIMICA ACTA},
volume={176},
number={},
pages={1092-1099},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Skorodumova Natalia V,Mentus Slavko V},
year={2015},
title={Theoretical studies in catalysis and electrocatalysis: from fundamental knowledge to catalyst design},
journal={REACTION KINETICS MECHANISMS AND CATALYSIS},
volume={115},
number={1},
pages={5-32},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Baljozovic Milos R,Granda-Marulanda Laura P,Skorodumova Natalia V},
year={2015},
title={Bimetallic dimers adsorbed on a defect-free MgO(001) surface: bonding, structure and reactivity},
journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
volume={17},
number={15},
pages={9666-9679},
document_type={Article},
} 

@ARTICLE{
author={Pasti Igor A,Baljozovic Milos R,Skorodumova Natalia V},
year={2015},
title={Adsorption of nonmetallic elements on defect-free MgO(001) surface - DFT study},
journal={SURFACE SCIENCE},
volume={632},
number={},
pages={39-49},
document_type={Article},
}