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

Applied surface science, 2020-06, Vol.514, p.145937, Article 145937

2020

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

Electrochimica acta, 2022-04, Vol.412, p.140155, Article 140155

2022

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

Electrochimica acta, 2019-02, Vol.297, p.523-528

2019

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

Applied surface science, 2018-04, Vol.436, p.433-440

2018

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

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (12), p.853-854

2017

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

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (2), p.858-865

2018

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Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media

Journal of power sources, 2012-12, Vol.220, p.306-316

2012

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DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction

International journal of hydrogen energy, 2013-04, Vol.38 (12), p.5009-5018

2013

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Galvanic displacement of Co with Rh boosts hydrogen and oxygen evolution reactions in alkaline media

Journal of solid state electrochemistry, 2023-07, Vol.27 (7), p.1877-1887

2023

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Functionalized graphene for sodium battery applications: the DFT insights

Electrochimica acta, 2017-10, Vol.250, p.185-195

2017

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High-performance charge storage by N-containing nanostructured carbon derived from polyaniline

Carbon (New York), 2012-08, Vol.50 (10), p.3915-3927

2012

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Electrochemical reduction of thin graphene-oxide films in aqueous solutions – Restoration of conductivity

Electrochimica acta, 2022-04, Vol.410, p.140046, Article 140046

2022

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Thermal stability and antimicrobial properties of pure and modified pyrophyllite (PYRO/Ag) clay

Journal of thermal analysis and calorimetry, 2023-02, Vol.148 (4), p.1669-1678

2023

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

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (9), p.658-6586

2016

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

Electrochimica acta, 2022-05, Vol.414, p.140214, Article 140214

2022

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

ACS catalysis, 2019-04, Vol.9 (4), p.3467-3481

2019

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Synthesis, Characterization, and Electrochemistry of Nanotubular Polypyrrole and Polypyrrole-Derived Carbon Nanotubes

Journal of physical chemistry. C, 2014-07, Vol.118 (27), p.14770-14784

2014

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

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (20), p.13281-13293

2017

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

Electrochimica acta, 2020-09, Vol.354, p.136735, Article 136735

2020

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

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (3), p.1524-1530

2018

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Oxygen reduction on anodically formed titanium dioxide

Electrochimica acta, 2004-11, Vol.50 (1), p.27-32

Mentus, Slavko V.

2004

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Electrochemical tuning of capacitive response of graphene oxide

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (35), p.22698-2279

2018

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

Surface & coatings technology, 2018-09, Vol.349, p.511-521

2018

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Halogen adsorption on crystallographic (1 1 1) planes of Pt, Pd, Cu and Au, and on Pd-monolayer catalyst surfaces: First-principles study

Electrochimica acta, 2010-02, Vol.55 (6), p.1995-2003

2010

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Electrochemical and Density Functional Theory Study on the Reactivity of Fisetin and Its Radicals: Implications on in Vitro Antioxidant Activity

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (51), p.14170-14179

2009

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

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

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

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

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

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

Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media

DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction

Galvanic displacement of Co with Rh boosts hydrogen and oxygen evolution reactions in alkaline media

Functionalized graphene for sodium battery applications: the DFT insights

High-performance charge storage by N-containing nanostructured carbon derived from polyaniline

Electrochemical reduction of thin graphene-oxide films in aqueous solutions – Restoration of conductivity

Thermal stability and antimicrobial properties of pure and modified pyrophyllite (PYRO/Ag) clay

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

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

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

Synthesis, Characterization, and Electrochemistry of Nanotubular Polypyrrole and Polypyrrole-Derived Carbon Nanotubes

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

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

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

Oxygen reduction on anodically formed titanium dioxide

Electrochemical tuning of capacitive response of graphene oxide

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

Halogen adsorption on crystallographic (1 1 1) planes of Pt, Pd, Cu and Au, and on Pd-monolayer catalyst surfaces: First-principles study

Electrochemical and Density Functional Theory Study on the Reactivity of Fisetin and Its Radicals: Implications on in Vitro Antioxidant Activity

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