Antton Curutchet

Identifiants chercheurs

IdHAL :

anttoncurutchet

IdRef :

238231658

Présentation

Publications

Article dans une revue (7)

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-03821222v1
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-02519600v1
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-02436568v1
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 Laukkanenet al. Materials Horizons, 2018, 5 (3), pp.569 - 576. ⟨10.1039/C8MH00308D⟩ Article dans une revue hal-01889515v1
Bismuth Silver Oxysulfide for Photoconversion Applications: Structural and Optoelectronic Properties Amal Baqais,Antton Curutchet,Ahmed Ziani,Hassan Ait Ahsaine,Philippe Sautetet al. Chemistry of Materials, 2017, 29 (20), pp.8679 - 8689. ⟨10.1021/acs.chemmater.7b02664⟩ Article dans une revue hal-01889549v1
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-01889554v1
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-01531569v1

Communication dans un congrès (9)

Using grand-canonical DFT to investigate electrochemical reactions on semiconductor surfaces. Tangui Le Bahers,Stephan N. Steinmann,Pascal Raybaud,Curutchet Antton,Muhammad Akif Ramzanet al. 9ièmes journées nationales des carburants solaires, Jul 2025, Strasbourg, France Communication dans un congrès hal-05512151v1
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-02357972v1
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. Steinmannet al. International Conference on Advanced Materials and Processes for Environment, Energy and Health, Oct 2018, Montréal, Canada Communication dans un congrès hal-02074839v1
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-02074845v1
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-02145451v1
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-02074834v1
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-02074858v1
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-02074837v1
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-02074847v1

Poster de conférence (4)

Modeling the Photochromism of Sulphur-Doped Sodalites using DFT, TDDFT and SAC-CI methods. Tangui Le Bahers,Curutchet Antton EMRS, Mar 2018, Strasbourg, France Poster de conférence hal-02073533v1
DFT investigation of tenebrescent natural minerals Curutchet Antton,Tangui Le Bahers Workshop on Charge Trapping Defects in Semiconductors and Insulators, Mar 2017, York, United Kingdom Poster de conférence hal-02076195v1
Research activities on solar fuels in the laboratoy of Chemistry of ENS Lyon – Group of Theoretical Chemistry Tangui Le Bahers,Curutchet Antton,Stephan N. Steinmann,Ivan Rivalta,Pauline Colinet Journée des Carburants Solaires 2017, May 2017, Autran, France Poster de conférence hal-02073958v1
Etude par DFT de la ténébrescence dans les composés photochromiques minéraux Curutchet Antton,Tangui Le Bahers Rencontre des chimistes théoriciens francophones, Jun 2016, Lyon, France Poster de conférence hal-02074846v1

Thèse (1)

Etude par DFT de photocatalyseurs pour des applications en photodissociation de l'eau Antton Curutchet Chimie théorique et/ou physique. Université de Lyon, 2019. Français. ⟨NNT : 2019LYSEN010⟩ Thèse tel-02308459v1