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Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers

Angewandte Chemie (International ed.), 2014-08, Vol.53 (32), p.8316-8319

International ed. in English, 2014

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Trends in Stability of Perovskite Oxides

Angewandte Chemie (International ed.), 2010-10, Vol.49 (42), p.7699-7701

2010

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Supramolecular Environment-Dependent Electronic Properties of Metal–Organic Interfaces

Journal of physical chemistry. C, 2012-02, Vol.116 (7), p.4780-4785

2012

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Role of Long-Range Dispersion Forces in Modeling of MXenes as Battery Electrode Materials

Journal of physical chemistry. C, 2019-02, Vol.123 (7), p.4064-4071

2019

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How covalence breaks adsorption-energy scaling relations and solvation restores them

Chemical science (Cambridge), 2017-01, Vol.8 (1), p.124-130

2017

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Cover Picture: Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers (Angew. Chem. Int. Ed. 32/2014)

Angewandte Chemie (International ed.), 2014-08, Vol.53 (32), p.8253-8253

International ed. in English, 2014

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Pressure Effects on 3dn (n=4, 9) Insulating Compounds: Long Axis Switch in Na3MnF6 not Due to the Jahn‐Teller Effect

Chemistry : a European journal, 2022-08, Vol.28 (43), p.n/a

2022

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Pressure Effects on 3d n (n=4, 9) Insulating Compounds: Long Axis Switch in Na 3 MnF 6 not Due to the Jahn-Teller Effect

Chemistry : a European journal, 2022-08, Vol.28 (43), p.e202200948

2022

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Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

Current opinion in electrochemistry, 2018-03, Vol.8, p.110-117

2018

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Customized Electronic Coupling in Self-Assembled Donor-Acceptor Nanostructures

Advanced functional materials, 2009-11, Vol.19 (22), p.3567-3573

2009

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Solid-State Reactions in Binary Molecular Assemblies of F16CuPc and Pentacene

ACS nano, 2011-01, Vol.5 (1), p.581-589

2011

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Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers

Angewandte Chemie, 2014-08, Vol.126 (32), p.8456-8459

2014

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Computational screening of functionalized zinc porphyrins for dye sensitized solar cells

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (44), p.19478-19486

2013

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Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides

Journal of physical chemistry. C, 2018-01, Vol.122 (2), p.1135-1147

2018

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Red‐to‐Yellow Pressure‐Induced Phase Transition in Pt(bpy)Cl 2 : Spectroscopic Study Supported by DFT Calculations

European journal of inorganic chemistry, 2007-12, Vol.2007 (36), p.5735-5742

2007

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Trends in Stability of Perovskite Oxides

Angewandte Chemie, 2010-10, Vol.122 (42), p.7865-7867

2010

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Thermodynamic and Kinetic Limitations for Peroxide and Superoxide Formation in Na–O2 Batteries

The journal of physical chemistry letters, 2018-08, Vol.9 (15), p.4413-4419

2018

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Titelbild: Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers (Angew. Chem. 32/2014)

Angewandte Chemie, 2014-08, Vol.126 (32), p.8393-8393

2014

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Role of Li2O2@Li2CO3 Interfaces on Charge Transport in Nonaqueous Li–Air Batteries

Journal of physical chemistry. C, 2015-08

2015

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Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (30), p.16246-16254

2014

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Trends in Stability of Perovskite Oxides

Angewandte Chemie, 2010-10, Vol.122 (42), p.7865-7867

2010

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Design of two-photon molecular tandem architectures for solar cells by ab initio theory

Chemical science (Cambridge), 2015-05, Vol.6 (5), p.3018-3025

2015

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Self-energy and excitonic effects in the electronic and optical properties of TiO₂ crystalline phases

Physical review. B, Condensed matter and materials physics, 2010-07, Vol.82 (4)

2010

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Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics

The journal of physical chemistry letters, 2016-01, Vol.7 (1), p.90-95

2016

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How covalence breaks adsorption-energy scaling relations and solvation restores themElectronic supplementary information (ESI) available: Assessment of adsorption energies, models used for the oxygen evolution and reduction reactions, details of the calculations in ADF, tables with spin states, zero-point energies, solvation energies, adsorption energies and ligand effects. See DOI: 10.1039/c6sc02123a

2016-12

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Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers

Trends in Stability of Perovskite Oxides

Supramolecular Environment-Dependent Electronic Properties of Metal–Organic Interfaces

Role of Long-Range Dispersion Forces in Modeling of MXenes as Battery Electrode Materials

How covalence breaks adsorption-energy scaling relations and solvation restores them

Cover Picture: Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers (Angew. Chem. Int. Ed. 32/2014)

Pressure Effects on 3dn (n=4, 9) Insulating Compounds: Long Axis Switch in Na3MnF6 not Due to the Jahn‐Teller Effect

Pressure Effects on 3d n (n=4, 9) Insulating Compounds: Long Axis Switch in Na 3 MnF 6 not Due to the Jahn-Teller Effect

Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

Customized Electronic Coupling in Self-Assembled Donor-Acceptor Nanostructures

Solid-State Reactions in Binary Molecular Assemblies of F16CuPc and Pentacene

Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers

Computational screening of functionalized zinc porphyrins for dye sensitized solar cells

Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides

Red‐to‐Yellow Pressure‐Induced Phase Transition in Pt(bpy)Cl 2 : Spectroscopic Study Supported by DFT Calculations

Trends in Stability of Perovskite Oxides

Thermodynamic and Kinetic Limitations for Peroxide and Superoxide Formation in Na–O2 Batteries

Titelbild: Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers (Angew. Chem. 32/2014)

Role of Li2O2@Li2CO3 Interfaces on Charge Transport in Nonaqueous Li–Air Batteries

Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations

Trends in Stability of Perovskite Oxides

Design of two-photon molecular tandem architectures for solar cells by ab initio theory

Self-energy and excitonic effects in the electronic and optical properties of TiO₂ crystalline phases

Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics

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