tangui le bahers
tangui le bahers
Université Claude Bernard Lyon 1
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A qualitative index of spatial extent in charge-transfer excitations
T Le Bahers, C Adamo, I Ciofini
Journal of Chemical Theory and Computation 7 (8), 2498-2506, 2011
What is the “best” atomic charge model to describe through-space charge-transfer excitations?
D Jacquemin, T Le Bahers, C Adamo, I Ciofini
Physical Chemistry Chemical Physics 14 (16), 5383-5388, 2012
Through-space charge transfer in rod-like molecules: lessons from theory
I Ciofini, T Le Bahers, C Adamo, F Odobel, D Jacquemin
The Journal of Physical Chemistry C 116 (22), 11946-11955, 2012
Semiconductors used in photovoltaic and photocatalytic devices: assessing fundamental properties from DFT
T Le Bahers, M Rerat, P Sautet
The Journal of Physical Chemistry C 118 (12), 5997-6008, 2014
First-principles modeling of dye-sensitized solar cells: challenges and perspectives
F Labat, T Le Bahers, I Ciofini, C Adamo
Accounts of Chemical Research 45 (8), 1268-1277, 2012
A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells
T Le Bahers, T Pauporté, G Scalmani, C Adamo, I Ciofini
Physical chemistry chemical physics 11 (47), 11276-11284, 2009
Wavelength‐emission tuning of ZnO nanowire‐based light‐emitting diodes by Cu doping: experimental and computational insights
O Lupan, T Pauporté, T Le Bahers, B Viana, I Ciofini
Advanced Functional Materials 21 (18), 3564-3572, 2011
Dendritic tip-on polytriazine-based carbon nitride photocatalyst with high hydrogen evolution activity
MK Bhunia, S Melissen, MR Parida, P Sarawade, JM Basset, DH Anjum, ...
Chemistry of Materials 27 (24), 8237-8247, 2015
Modeling dye-sensitized solar cells: From theory to experiment
T Le Bahers, T Pauporté, PP Lainé, F Labat, C Adamo, I Ciofini
The Journal of Physical Chemistry Letters 4 (6), 1044-1050, 2013
Exploring excited states using time dependent density functional theory and density-based indexes
C Adamo, T Le Bahers, M Savarese, L Wilbraham, G García, R Fukuda, ...
Coordination Chemistry Reviews 304, 166-178, 2015
Electrodeposited nanoporous versus nanoparticulate ZnO films of similar roughness for dye-sensitized solar cell applications
VM Guerin, C Magne, T Pauporté, T Le Bahers, J Rathousky
ACS Applied Materials & Interfaces 2 (12), 3677-3685, 2010
Relationship between carbon nitride structure and exciton binding energies: a DFT perspective
S Melissen, T Le Bahers, SN Steinmann, P Sautet
The Journal of Physical Chemistry C 119 (45), 25188-25196, 2015
Theoretical procedure for optimizing dye-sensitized solar cells: from electronic structure to photovoltaic efficiency
T Le Bahers, F Labat, T Pauporté, PP Lainé, I Ciofini
Journal of the American Chemical Society 133 (20), 8005-8013, 2011
High Aspect Ratio Ternary Zn1–xCdxO Nanowires by Electrodeposition for Light-Emitting Diode Applications
O Lupan, T Pauporté, T Le Bahers, I Ciofini, B Viana
The Journal of Physical Chemistry C 115 (30), 14548-14558, 2011
Effect of solvent and additives on the open-circuit voltage of ZnO-based dye-sensitized solar cells: a combined theoretical and experimental study
T Le Bahers, F Labat, T Pauporté, I Ciofini
Physical Chemistry Chemical Physics 12 (44), 14710-14719, 2010
Dissolution on Titan and on Earth: Toward the age of Titan's karstic landscapes
T Cornet, D Cordier, TL Bahers, O Bourgeois, C Fleurant, SL Mouélic, ...
Journal of Geophysical Research: Planets 120 (6), 1044-1074, 2015
Electronic properties of PbX 3 CH 3 NH 3 (X= Cl, Br, I) compounds for photovoltaic and photocatalytic applications
STAG Melissen, F Labat, P Sautet, T Le Bahers
Physical Chemistry Chemical Physics 17 (3), 2199-2209, 2015
The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes
T Le Bahers, E Brémond, I Ciofini, C Adamo
Physical Chemistry Chemical Physics 16 (28), 14435-14444, 2014
Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting
M Qureshi, AT Garcia-Esparza, G Jeantelot, S Ould-Chikh, ...
Journal of Catalysis 376, 180-190, 2019
Assembly of ferrocene molecules on metal surfaces revisited
M Ormaza, P Abufager, N Bachellier, R Robles, M Verot, T Le Bahers, ...
The Journal of Physical Chemistry Letters 6 (3), 395-400, 2015
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