A. Dobrota

发表

Oxidized graphene as an electrode material for rechargeable metal-ion batteries - a DFT point of view

I. Pašti, N. Skorodumova, A. Dobrota, 2015 .

Altering the reactivity of pristine, N- and P-doped graphene by strain engineering: A DFT view on energy related aspects

B. Johansson, S. Mentus, N. Skorodumova, 2019, Applied Surface Science.

Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

N. López, I. Pašti, N. Skorodumova, 2020, Catalysts.

Simple routes for the improvement of hydrogen evolution activity of Ni-Mo catalysts: From sol-gel derived powder catalysts to graphene supported co-electrodeposits

S. Mentus, L. Rafailović, I. Pašti, 2017, International Journal of Hydrogen Energy.

Sodium storage via single epoxy group on graphene - The role of surface doping

B. Johansson, S. Mentus, N. Skorodumova, 2018, 1801.08389.

A study of ordered mesoporous carbon doped with Co and Ni as a catalyst of oxygen reduction reaction in both alkaline and acidic media

B. Jokić, M. Momčilović, B. Babic, 2018, Surface and Coatings Technology.

Structural and electronic properties of V2O5 and their tuning by doping with 3d elements - modelling using the DFT+U method and dispersion correction.

Engineering, Astronomy, Department of Materials Science, 2018, Physical chemistry chemical physics : PCCP.

Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films.

N. López, S. Mentus, I. Pašti, 2017, Physical chemistry chemical physics : PCCP.

Atomic adsorption on pristine graphene along the Periodic Table of Elements – From PBE to non-local functionals

Engineering, Astronomy, Austria, 2017, Applied Surface Science.

Hydrogen Evolution Volcano(es)—From Acidic to Neutral and Alkaline Solutions

I. Pašti, N. Skorodumova, A. Jovanović, 2022, Catalysts.

The Local Coordination Effects on the Reactivity and Speciation of Active Sites in Graphene-Embedded Single-Atom Catalysts over Wide pH and Potential Range

I. Pašti, N. Skorodumova, A. Dobrota, 2022, Nanomaterials.

High-performance hydrogen evolution electrocatalysis using proton-intercalated TiO2 nanotube arrays as interactive supports for Ir nanoparticles

R. Zbořil, P. Schmuki, U. Lačnjevac, 2020 .

Investigation of electrocatalytic activity on a N-doped reduced graphene oxide surface for the oxygen reduction reaction in an alkaline medium

K. Bouzek, D. Chanda, Jaromír Hnát, 2018, International Journal of Hydrogen Energy.

Surface pourbaix plots of M@N4-graphene single-atom electrocatalysts from density functional theory thermodynamic modeling

Engineering, Management, Department of Materials Science, 2021, Electrochimica Acta.

Atomically Thin Metal Films on Foreign Substrates: From Lattice Mismatch to Electrocatalytic Activity

N. López, S. Mentus, I. Pašti, 2019, ACS Catalysis.

As a single atom Pd outperforms Pt as the most active co-catalyst for photocatalytic H2 evolution

P. Schmuki, Š. Kment, A. Mazare, 2021, iScience.

Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries – the impact of the computational scheme

B. Johansson, S. Mentus, I. Pašti, 2020, 2006.12912.

Stabilization of alkali metal ions interaction with OH-functionalized graphene via clustering of OH groups – implications in charge storage applications

S. Mentus, Ana Kalijadis, I. Pašti, 2016 .

Redrawing HER Volcano with Interfacial Processes—The Role of Hydrogen Spillover in Boosting H2 Evolution in Alkaline Media

I. Pašti, B. Nedić Vasiljević, A. Jovanović, 2023, Catalysts.

Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface.

S. Mentus, I. Pašti, N. Skorodumova, 2017, Physical chemistry chemical physics : PCCP.

A general view on the reactivity of the oxygen-functionalized graphene basal plane.

S. Mentus, I. Pašti, N. Skorodumova, 2016, Physical chemistry chemical physics : PCCP.

The effect of surface modification by reduced graphene oxide on the electrocatalytic activity of nickel towards the hydrogen evolution reaction.

K. Bouzek, D. Chanda, Jaromír Hnát, 2015, Physical chemistry chemical physics : PCCP.

A Pt/MnV2O6 nanocomposite for the borohydride oxidation reaction

D. Santos, B. Šljukić, I. Pašti, 2021, Journal of Energy Chemistry.

Electrochromism of Ni-deficient nickel oxide -- Theoretical justification

Engineering, Moscow, Radioelectronics, 2021, 2108.08578.

What Is the Real State of Single-Atom Catalysts under Electrochemical Conditions—From Adsorption to Surface Pourbaix Plots?

S. Mentus, I. Pašti, N. Skorodumova, 2021, Catalysts.

A DFT study of the interplay between dopants and oxygen functional groups over the graphene basal plane - implications in energy-related applications.

S. Mentus, I. Pašti, N. Skorodumova, 2017, Physical chemistry chemical physics : PCCP.

Atomic adsorption on graphene with a single vacancy: systematic DFT study through the periodic table of elements.

B. Johansson, S. Mentus, I. Pašti, 2017, Physical chemistry chemical physics : PCCP.

Functionalized graphene for sodium battery applications: the DFT insights

B. Johansson, S. Mentus, I. Pašti, 2017 .

The Effects of a Low-Level Boron, Phosphorus, and Nitrogen Doping on the Oxygen Reduction Activity of Ordered Mesoporous Carbons

M. Stojmenović, G. Ćirić-Marjanović, M. Momčilović, 2015, Electrocatalysis.

Enhancement of hydrogen evolution reaction kinetics in alkaline media by fast galvanic displacement of nickel with rhodium – from smooth surfaces to electrodeposited nickel foams

S. Mentus, I. Pašti, N. Skorodumova, 2021, Electrochimica Acta.

Theoretical analysis of electrochromism of Ni-deficient nickel oxide - from bulk to surfaces.

B. Johansson, I. Pašti, N. Skorodumova, 2023, Physical chemistry chemical physics : PCCP.

First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various potential applications

I. Pašti, N. Skorodumova, A. Dobrota, 2022, Materials Today Communications.

Activation of Osmium by the Surface Effects of Hydrogenated TiO2 Nanotube Arrays for Enhanced Hydrogen Evolution Reaction Performance.

P. Schmuki, A. Mazare, I. Hwang, 2023, ACS applied materials & interfaces.

Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface.

S. Mentus, I. Pašti, N. Skorodumova, 2017, Physical Chemistry, Chemical Physics - PCCP.

Sodium storage via single epoxy group on graphene – The role of surface doping

S. Mentus, I. Pašti, N. Skorodumova, 2019, Electrochimica Acta.