Antton Curutchet

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Publications

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Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization

Antton Curutchet , Pauline Colinet , Carine Michel , Stephan N. Steinmann , Tangui Le Bahers
Physical Chemistry Chemical Physics, 2020, 22 (13), pp.7031-7038. ⟨10.1039/D0CP00281J⟩
Article dans une revue hal-02519600 v1

On the Spectroscopic Modeling of Localized Defects in Sodalites by TD-DFT

Pauline Colinet , Aria Gheeraert , Antton Curutchet , Tangui Le Bahers
Journal of Physical Chemistry C, 2020, 124 (16), pp.8949-8957. ⟨10.1021/acs.jpcc.0c00615⟩
Article dans une revue hal-03821222 v1

Electrophoretic Deposition of Quantum Dots and Characterisation of Composites

Curutchet Antton , Finn Purcell-Milton , Antton Curutchet , Yurii Gun’ko
Materials, 2019, 12 (24), pp.4089. ⟨10.3390/ma12244089⟩
Article dans une revue hal-02436568 v1

Solar UV index and UV dose determination with photochromic hackmanites: from the assessment of the fundamental properties to the device

Isabella Norrbo , Antton Curutchet , Ari Kuusisto , Jaakko Mäkelä , Pekka Laukkanen et al.
Materials Horizons, 2018, 5 (3), pp.569 - 576. ⟨10.1039/C8MH00308D⟩
Article dans une revue hal-01889515 v1

Bismuth Silver Oxysulfide for Photoconversion Applications: Structural and Optoelectronic Properties

Amal Baqais , Antton Curutchet , Ahmed Ziani , Hassan Ait Ahsaine , Philippe Sautet et al.
Chemistry of Materials, 2017, 29 (20), pp.8679 - 8689. ⟨10.1021/acs.chemmater.7b02664⟩
Article dans une revue hal-01889549 v1

Ab initio assessment of Bi 1−x RE x CuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting

Sheikha Lardhi , Antton Curutchet , Luigi Cavallo , Moussab Harb , Tangui Le Bahers
Physical Chemistry Chemical Physics, 2017, 19 (19), pp.12321 - 12330. ⟨10.1039/c7cp01684k⟩
Article dans une revue hal-01889554 v1

Modelling the S-Doped Sodalites Using DFT, TD-DFT and SAC-CI Methods

Curutchet Antton , Tangui Le Bahers
Inorganic Chemistry, 2016, 56 (1), pp.414-423. ⟨10.1021/acs.inorgchem.6b02323⟩
Article dans une revue hal-01531569 v1

Revealing the Photochromism Mechanism of Sulphur-Doped Sodalites using DFT, TD-DFT and SAC-CI methods.

Tangui Le Bahers , Curutchet Antton , Pauline Colinet , Isabella Norrbo , Mika Lastusaari
International Conference on Molecular Simulation 2019, Nov 2019, Jeju, South Korea
Communication dans un congrès hal-02357972 v1

Modelling heterogeneous photocatalysts for water splitting: What can we ask from quantum chemistry?

Tangui Le Bahers , Curutchet Antton , Angel T. Garcia-Esparza , Sigismund Teunis Alexander George Melissen , Stephan N. Steinmann et al.
International Conference on Advanced Materials and Processes for Environment, Energy and Health, Oct 2018, Montréal, Canada
Communication dans un congrès hal-02074839 v1

Ab initio design of BiCuOS derivatives as semiconductors for photochemical water splitting

Curutchet Antton , Sheikha Lardhi , Moussab Harb , Kazuhiro Takanabe , Tangui Le Bahers
European Materials Research Society Congress, Jun 2018, Strasbourg, France
Communication dans un congrès hal-02145451 v1

Modelling heterogeneous photocatalyst for water splitting: What can we ask from quantum chemistry?

Tangui Le Bahers , Curutchet Antton , Stephan N. Steinmann , Carine Michel , Angel T. Garcia-Esparza
Journées des Carburants Solaires 2018, May 2018, Paris, France
Communication dans un congrès hal-02074845 v1

Modeling the Photochromism of Sulphur-Doped Sodalites using DFT, TDDFT and SAC-CI methods.

Tangui Le Bahers , Curutchet Antton
4th International Workshop on Nano and Bio-Photonics, Sep 2017, Vogüé, France
Communication dans un congrès hal-02074834 v1

AB INITIO DESIGN OF BICUOS DERIVATIVES AS SEMICONDUCTORS FOR PHOTOCHEMICAL WATER SPLITTING

Curutchet Antton , Tangui Le Bahers
Journées des Carburants Solaires 2017, May 2017, Autrans, France
Communication dans un congrès hal-02074858 v1

Modeling the Photochromism of Sulphur-Doped Sodalites using DFT, TD-DFT and SAC-CI methods.

Tangui Le Bahers , Curutchet Antton
World Association of Theoretical and Computational Chemists, Aug 2017, Munich, Germany
Communication dans un congrès hal-02074837 v1

Investigation of electronic properties of photochromic sodalite by DFT/TD-DFT calculations.

Tangui Le Bahers , Curutchet Antton
Multi-Responsive Photochromes, Apr 2016, Nantes, France
Communication dans un congrès hal-02074847 v1