Frédèric Labat

Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals

Frédèric Labat, Philippe Baranek, Christophe Domain et al. · The Journal of Chemical Physics · 2007 · 357 citations

Relative Stabilities, Engineering, Inorganic Photochemistry +17

Structural and Electronic Properties of Selected Rutile and Anatase TiO₂Surfaces:  An ab Initio Investigation

Frédèric Labat, Philippe Baranek, Carlo Adamo · Journal of Chemical Theory and Computation · 2008 · 226 citations

Hybrid Dft, Engineering, Anatase Surfaces +21

First-Principles Modeling of Dye-Sensitized Solar Cells: Challenges and Perspectives

Frédèric Labat, Tangui Le Bahers, Ilaria Ciofini et al. · Accounts of Chemical Research · 2012 · 206 citations

Ultra-sensitive and selective hydrogen nanosensor with fast response at room temperature based on a single Pd/ZnO nanowire

Oleg Lupan, Vasile Postica, Frédèric Labat et al. · Sensors and Actuators B Chemical · 2017 · 153 citations · Full text

First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances

Frédèric Labat, Ilaria Ciofini, Hrant P. Hratchian et al. · Journal of the American Chemical Society · 2009 · 129 citations