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Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene

Journal of chemical theory and computation, 2021-10, Vol.17 (10), p.6405-6415

2021

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Growth of Stable Surface Oxides on Pt(111) at Near‐Ambient Pressures

Angewandte Chemie (International ed.), 2017-03, Vol.56 (10), p.2594-2598

International ed. in English, 2017

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First principles studies of self-diffusion processes on metallic lithium surfaces

The Journal of chemical physics, 2019-01, Vol.150 (4), p.041723-041723

2019

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Simulations of the Oxidation and Degradation of Platinum Electrocatalysts

Small (Weinheim an der Bergstrasse, Germany), 2020-02, Vol.16 (5), p.e1905159-n/a

2020

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characterization of nanoparticles

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (19), p.13228-13243

2023

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In silico characterization of nanoparticles

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (19), p.13228-13243

2023

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Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes

Journal of physical chemistry. C, 2022-04, Vol.126 (15), p.6773-6781

2022

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Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials

ChemSusChem, 2020-02, Vol.13 (4), p.771-783

2020

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Theoretical studies on the initial oxidation of metallic lithium anodes

Applied surface science, 2021-07, Vol.555, p.149447, Article 149447

2021

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Atomistic Studies on Water‐Induced Lithium Corrosion

ChemSusChem, 2022-01, Vol.15 (2), p.e202101765-n/a

2022

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Enhanced Capacitive Energy Storage in Polyoxometalate‐Doped Polypyrrole

Advanced functional materials, 2017-07, Vol.27 (25), p.n/a

2017

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Cuboctahedral Platinum Nanoparticles: Simulations of the Oxidation and Degradation of Platinum Electrocatalysts (Small 5/2020)

Small (Weinheim an der Bergstrasse, Germany), 2020-02, Vol.16 (5), p.n/a

2020

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Molybdenum Doping Augments Platinum–Copper Oxygen Reduction Electrocatalyst

ChemSusChem, 2018-01, Vol.11 (1), p.193-201

2018

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Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formation

Physical chemistry chemical physics : PCCP, 2014-11, Vol.16 (42), p.23118-23133

2014

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Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)

Chemphyschem, 2015-09, Vol.16 (13), p.2797-2802

2015

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Multiscale Modeling of Au-Island Ripening on Au(100)

Advances in Physical Chemistry, 2011-01, Vol.2011, p.1-11

2011

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On the platinum-oxide formation under gas-phase and electrochemical conditions

Journal of electron spectroscopy and related phenomena, 2017-11, Vol.221, p.44-57

2017

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Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formationElectronic supplementary information (ESI) available: Computational details, the developed ReaxFF Pt-O force field parameters as well as the ReaxFF and DFT-PBE obtained structures and energies are provided. See DOI: 10.1039/c4cp03111c

2014-10

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Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures

Angewandte Chemie, 2017-03, Vol.129 (10), p.2638

2017

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Theoretische untersuchungen zur sauerstoffreduktion an übergangsmetall-elektroden

Fantauzzi, Donato

2016

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Nanoscale-faceting of metal surfaces induced by adsorbates

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (31), p.8669-8684

2010

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Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface

Catalysis letters, 2015-01, Vol.145 (1), p.451-457

2015

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Topologically Sensitive Surface Segregations of Au–Pd Alloys in Electrocatalytic Hydrogen Evolution

ChemElectroChem, 2014-01, Vol.1 (1), p.207-212

2014

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Surface Modification of a n-Si(111) Electrode through Aldehyde Grafting and Subsequent Metallization: Theory and Experiment

Zeitschrift für physikalische Chemie (Neue Folge), 2012-10, Vol.226 (9), p.1039-1048

2012

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Two-Dimensional Assembly of Magnetic Binuclear Complexes: a Scanning Tunneling Microscopy Study

Langmuir, 2009-12, Vol.25 (23), p.13606-13613

2009

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Assessment of the Accuracy of Density Functionals for Calculating Oxygen Reduction Reaction on Nitrogen-Doped Graphene

Growth of Stable Surface Oxides on Pt(111) at Near‐Ambient Pressures

First principles studies of self-diffusion processes on metallic lithium surfaces

Simulations of the Oxidation and Degradation of Platinum Electrocatalysts

characterization of nanoparticles

In silico characterization of nanoparticles

Simulations of the Electrochemical Oxidation of Pt Nanoparticles of Various Shapes

Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials

Theoretical studies on the initial oxidation of metallic lithium anodes

Atomistic Studies on Water‐Induced Lithium Corrosion

Enhanced Capacitive Energy Storage in Polyoxometalate‐Doped Polypyrrole

Cuboctahedral Platinum Nanoparticles: Simulations of the Oxidation and Degradation of Platinum Electrocatalysts (Small 5/2020)

Molybdenum Doping Augments Platinum–Copper Oxygen Reduction Electrocatalyst

Development of a ReaxFF potential for Pt-O systems describing the energetics and dynamics of Pt-oxide formation

Surface Buckling and Subsurface Oxygen: Atomistic Insights into the Surface Oxidation of Pt(111)

Multiscale Modeling of Au-Island Ripening on Au(100)

On the platinum-oxide formation under gas-phase and electrochemical conditions

Growth of Stable Surface Oxides on Pt(111) at Near-Ambient Pressures

Theoretische untersuchungen zur sauerstoffreduktion an übergangsmetall-elektroden

Nanoscale-faceting of metal surfaces induced by adsorbates

Microkinetic Modeling of the Oxygen Reduction Reaction at the Pt(111)/Gas Interface

Topologically Sensitive Surface Segregations of Au–Pd Alloys in Electrocatalytic Hydrogen Evolution

Surface Modification of a n-Si(111) Electrode through Aldehyde Grafting and Subsequent Metallization: Theory and Experiment

Two-Dimensional Assembly of Magnetic Binuclear Complexes: a Scanning Tunneling Microscopy Study

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