| Issue Date | Title | Author(s) |
| 1 | Dec-2024 | DFT Insights into Boron-Doped Graphene: Tuning Metal Interaction through Boron Content and Surface Oxidation | Veličković, Nikola; Dobrota, Ana |
| 2 | Jun-2024 | Local coordination effects on stability and reactivity of single-atom catalysts supported on graphene: Insights and implications | Dobrota, Ana ; Skorodumova, Natalia; Pašti, Igor |
| 3 | Jun-2024 | An alternative view on the electrochromism of Ni-deficient nickel oxide | Pašti, Igor ; Dobrota, Ana ; Skorodumova, Natalia |
| 4 | 1-Nov-2023 | Reactivity of Stone-Wales defect in graphene lattice – DFT study | Jovanović, Aleksandar ; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
| 5 | 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 |
| 6 | 5-Jul-2023 | Activation of Osmium by the Surface Effects of Hydrogenated TiO2 Nanotube Arrays for Enhanced Hydrogen Evolution Reaction Performance | Krstajić Pajić, Mila N; Dobrota, Ana ; Mazare, Anca; Đurđić, Slađana; Hwang, Imgon; Skorodumova, Natalia V; Manojlović, Dragan; Vasilić, Rastko; Pašti, Igor ; Schmuki, Patrik; Lačnjevac, Uroš |
| 7 | 15-Mar-2023 | Theoretical analysis of electrochromism of Ni-deficient nickel oxide - from bulk to surfaces | Pašti, Igor ; Dobrota, Ana ; Migas, Dmitri B; Johansson, Börje; Skorodumova, Natalia V |
| 8 | 1-Jan-2023 | Surface electrochemical processes, thermodynamics, and electrocatalysis—from extended surfaces to single atom catalysts | Dobrota, Ana ; Pašti, Igor |
| 9 | 1-Jan-2023 | Redrawing HER Volcano with Interfacial Processes—The Role of Hydrogen Spillover in Boosting H<inf>2</inf> Evolution in Alkaline Media | Gutić, Sanjin J.; Metarapi, Dino; Jovanović, Aleksandar ; Gebremariam, Goitom K.; Dobrota, Ana ; Nedić Vasiljević, Bojana ; Pašti, Igor |
| 10 | 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 |
| 11 | 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 |
| 12 | 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 |
| 13 | 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 |
| 14 | 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 |
| 15 | 2022 | Imperfections in graphene and their role in energy related applications: DFT insights | Dobrota, Ana |
| 16 | 2022 | Ni-based surface phases boosting H2O dissociation and H2 production – theoretical insights | Dobrota, Ana ; Pašti, Igor |
| 17 | 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 |
| 18 | Sep-2021 | What is the State of Single Atom Catalysts under Electrochemical Conditions – DFT Study of SACs Embedded in Graphene Lattice? | Đokić, Tanja; Pašti, Igor ; Dobrota, Ana |
| 19 | 20-Aug-2021 | As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H2 evolution | Cha, Gihoon; Hwang, Imgon; Hejazi, Seyedsina; Dobrota, Ana ; Pašti, Igor ; Osuagwu, Benedict; Kim, Hyesung; Will, Johannes; Yokosawa, Tadahiro; Badura, Zdeněk; Kment, Štěpán; Mohajernia, Shiva; Mazare, Anca; Skorodumova, Natalia V; Spiecker, Erdmann; Schmuki, Patrik |
| 20 | 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. |
| 21 | 2021 | A DFT study of the influence of chemical environment and boron concentration in boron-doped graphene on its reactivity | Ritopečki, Milica; Dobrota, Ana |
| 22 | 2021 | Nitrogen-doped graphene nanoribbons: DFT prospects for Al-ion battery application | Vlahović, Jovana; Dobrota, Ana ; Skorodumova, Natalia V.; Pašti, Igor |
| 23 | 21-Nov-2020 | High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO<inf>2</inf>nanotube arrays as interactive supports for Ir nanoparticles | Lačnjevac, Uroš; Vasilić, Rastko; Dobrota, Ana ; Đurđić, Slađana; Tomanec, Ondřej; Zbořil, Radek; Mohajernia, Shiva; Nguyen, Nhat Truong; Skorodumova, Natalia; Manojlović, Dragan; Elezović, Nevenka; Pašti, Igor ; Schmuki, Patrik |
| 24 | 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 |
| 25 | 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. |
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