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Tangui Le Bahers

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tangui-le-bahers

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stephan-n-steinmann

	Modeling the polychromism of oxide minerals: The case of alexandrite and cordierite Raphaël Rullan , Pauline Colinet , Quentin Desdion , Stephan N Steinmann , Tangui Le Bahers Journal of Computational Chemistry, inPress, ⟨10.1002/jcc.27288⟩ Article dans une revue hal-04500816v1
	Two-sites are better than one: revisiting the OER mechanism on CoOOH by DFT with electrode polarization Curutchet Antton , Pauline Colinet , Carine Michel , Stephan N. Steinmann , Tangui Le Bahers Physical Chemistry Chemical Physics, 2020, ⟨10.1039/D0CP00281J⟩ Article dans une revue hal-02519600v1
	Shining Light on Carbon Nitrides: Leveraging Temperature To Understand Optical Gap Variations Xiaobo Li , Sigismund Melissen , Tangui Le Bahers , Philippe Sautet , Anthony Masters Chemistry of Materials, 2018, 30 (13), pp.4253 - 4262. ⟨10.1021/acs.chemmater.8b00740⟩ Article dans une revue hal-01889570v1
	Challenges in Calculating the bandgap of Triazine-Based Carbon Nitride Structures Stephan N. Steinmann , Sigismund Teunis Alexander George Melissen , Tangui Le Bahers , Philippe Sautet Journal of Materials Chemistry A, 2017, 5, pp.5115-5122. ⟨10.1039/C6TA08939A⟩ Article dans une revue hal-01531570v1
	DFT Perspective on the Thermochemistry of Carbon Nitride Synthesis Sigismund Teunis Alexander George Melissen , Stephan N. Steinmann , Tangui Le Bahers , Philippe Sautet Journal of Physical Chemistry C, 2016, 120 (43), pp.24542-24550. ⟨10.1021/acs.jpcc.6b06335⟩ Article dans une revue hal-01531568v1
	Relationship between Carbon Nitride Structure and Exciton Binding Energies: A DFT Perspective Sigismund Melissen , Tangui Le Bahers , Stephan N. Steinmann , Philippe Sautet Journal of Physical Chemistry C, 2015, 119 (45), pp.25188-25196. ⟨10.1021/acs.jpcc.5b07059⟩ Article dans une revue hal-01241527v1

	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 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
	Challenges in calculating the bandgap of triazine-based carbon nitride structures Stephan N. Steinmann , Tangui Le Bahers ACS Spring Meeting, Apr 2017, San Francisco, United States Communication dans un congrès hal-02077762v1

	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