| Issue Date | Title | Author(s) |
1 | 1-Nov-2023 | Reactivity of Stone-Wales defect in graphene lattice – DFT study | Jovanović, Aleksandar ; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
2 | Sep-2023 | Density Functional Theory Analysis of the Impact of Boron Concentration and Surface Oxidation in Boron-Doped Graphene for Sodium and Aluminum Storage | Ritopečki, Milica; Skorodumova, Natalia V.; Dobrota, Ana ; Pašti, Igor |
3 | 1-Dec-2022 | Hydrogen Evolution Volcano(es)—From Acidic to Neutral and Alkaline Solutions | Gebremariam, Goitom K.; Jovanović, Aleksandar ; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
4 | 1-Dec-2022 | The Local Coordination Effects on the Reactivity and Speciation of Active Sites in Graphene-Embedded Single-Atom Catalysts over Wide pH and Potential Range | Ritopečki, Milica S.; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
5 | 1-Jun-2022 | First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various potential applications | Dobrota, Ana ; Vlahović, Jovana; Skorodumova, Natalia V.; Pašti, Igor |
6 | 10-May-2022 | Enhancement of hydrogen evolution reaction kinetics in alkaline media by fast galvanic displacement of nickel with rhodium – From smooth surfaces to electrodeposited nickel foams | Jovanović, Aleksandar Z. ; Bijelić, Lazar; Dobrota, Ana ; Skorodumova, Natalia V.; Mentus, Slavko V. ; Pašti, Igor |
7 | 20-Apr-2022 | Surface pourbaix plots of M@N<inf>4</inf>-graphene single-atom electrocatalysts from density functional theory thermodynamic modeling | Dobrota, Ana ; Skorodumova, Natalia V.; Mentus, Slavko V. ; Pašti, Igor |
8 | Oct-2021 | What Is the Real State of Single-Atom Catalysts under Electrochemical Conditions—From Adsorption to Surface Pourbaix Plots? | Dobrota, Ana ; Đokić, Tanja; Skorodumova, Natalia V.; Mentus, Slavko ; Pašti, Igor |
9 | 1-Apr-2021 | A Pt/MnV<inf>2</inf>O<inf>6</inf> nanocomposite for the borohydride oxidation reaction | Milikić, Jadranka ; Martins, Marta; Dobrota, Ana ; Bozkurt, Gamze; Soylu, Gulin S.P.; Yurtcan, Ayşe B.; Skorodumova, Natalia V.; Pašti, Igor ; Šljukić, Biljana ; Santos, Diogo M.F. |
10 | 2021 | Nitrogen-doped graphene nanoribbons: DFT prospects for Al-ion battery application | Vlahović, Jovana; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
11 | 10-Sep-2020 | Theoretical analysis of doped graphene as cathode catalyst in Li-O<inf>2</inf> and Na-O<inf>2</inf> batteries – the impact of the computational scheme | Novčić, Katarina A.; Dobrota, Ana ; Petković, Milena ; Johansson, Börje; Skorodumova, Natalia V.; Mentus, Slavko V. ; Pašti, Igor |
12 | 1-Jun-2020 | Altering the reactivity of pristine, N- and P-doped graphene by strain engineering: A DFT view on energy related aspects | Dobrota, Ana ; Pašti, Igor ; Mentus, Slavko V. ; Johansson, Börje; Skorodumova, Natalia V. |
13 | 1-Mar-2020 | Hydrogen evolution reaction-from single crystal to single atom catalysts | Gutić, Sanjin J.; Dobrota, Ana ; Fako, Edvin; Skorodumova, Natalia V.; López, Núria; Pašti, Igor |
14 | 5-Apr-2019 | Atomically Thin Metal Films on Foreign Substrates: From Lattice Mismatch to Electrocatalytic Activity | Pašti, Igor ; Fako, Edvin; Dobrota, Ana ; López, Núria; Skorodumova, Natalia V.; Mentus, Slavko V. |
15 | 20-Feb-2019 | When supporting electrolyte matters – Tuning capacitive response of graphene oxide via electrochemical reduction in alkali and alkaline earth metal chlorides | Karačić, Dalibor; Korać, Selma; Dobrota, Ana ; Pašti, Igor ; Skorodumova, Natalia V.; Gutić, Sanjin J. |
16 | 20-Feb-2019 | Sodium storage via single epoxy group on graphene – The role of surface doping | Diklić, Nataša P.; Dobrota, Ana ; Pašti, Igor ; Mentus, Slavko V. ; Johansson, Börje; Skorodumova, Natalia V. |
17 | 15-Sep-2018 | A study of ordered mesoporous carbon doped with Co and Ni as a catalyst of oxygen reduction reaction in both alkaline and acidic media | Gavrilov, Nemanja ; Momčilović, Milan; Dobrota, Ana ; Stanković, Dalibor M.; Jokić, Bojan; Babić, Biljana; Skorodumova, Natalia V.; Mentus, Slavko V. ; Pašti, Igor |
18 | 5-Jul-2018 | Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium | Chanda, Debabrata; Dobrota, Ana ; Hnát, Jaromir; Sofer, Zdenek; Pašti, Igor ; Skorodumova, Natalia V.; Paidar, Martin; Bouzek, Karel |
19 | 1-Apr-2018 | Atomic adsorption on pristine graphene along the Periodic Table of Elements – From PBE to non-local functionals | Pašti, Igor ; Jovanović, Aleksandar ; Dobrota, Ana ; Mentus, Slavko V. ; Johansson, Börje; Skorodumova, Natalia V. |
20 | 2018 | Oxygen reduction on graphene: a dft view on the role of nitrogen functionalities | Dobrota, Ana ; Pašti, Igor ; Skorodumova, Natalia V. |
21 | 2018 | Design of novel oxygen reduction reaction electrocatalysts guided by systematic study of atomic adsorption on graphene through the Periodic Table of Elements | Pašti, Igor ; Jovanović, Aleksandar ; Dobrota, Ana ; Gavrilov, Nemanja ; Johansson, B.; Skorodumova, Natalia V. |
22 | 2018 | Doped graphene as an electrode material in novel metal-ion batteries: the importance of the oxidation level | Dobrota, Ana ; Pašti, Igor ; Skorodumova, Natalia V. |
23 | 2018 | B-doped graphene as an electrode material in novel metal-ion batteries: the role of dopant concentration | Dobrota, Ana ; Pašti, Igor ; Skorodumova, Natalia V. |
24 | 2018 | How does graphene react to stress? | Dobrota, Ana ; Pašti, Igor ; Skorodumova, Natalia V. |
25 | 1-Oct-2017 | Functionalized graphene for sodium battery applications: the DFT insights | Dobrota, Ana ; Pašti, Igor ; Mentus, Slavko V. ; Johansson, Börje; Skorodumova, Natalia V. |