O. Le Bacq

Surface distortion as a unifying concept and descriptor in oxygen reduction reaction electrocatalysis

Raphaël Chattot, O. Le Bacq, Vera Beermann et al. · Nature Materials · 2018 · 452 citations · Full text

Oxygen Reduction Reaction, Chemical Engineering, Engineering +8

Prediction of the local structure of liquid and supercooled tantalum

N. Jakse, O. Le Bacq, A. Pasturel · Physical Review B · 2004 · 76 citations

Quantum Liquid, Crystal Structure, Local Structure +19

Unrelaxed vacancy formation energies in group-IV elements calculated by the full-potential linear muffin-tin orbital method: Invariance with crystal structure

O. Le Bacq, F. Willaime, A. Pasturel · Physical review. B, Condensed matter · 1999 · 71 citations

Crystal Structure, Engineering, Electronic Structure +16

Electrochemical and ab initio investigations to design a new phenothiazine based organic redox polymeric material for metal-ion battery cathodes

Thibault Godet‐Bar, Jean‐Claude Leprêtre, O. Le Bacq et al. · Physical Chemistry Chemical Physics · 2015 · 54 citations

Metal-ion Battery Cathodes, Engineering, N-substituted Phenothiazines +21

Electronic structure calculations of vacancy parameters in transition metals: Impact on the bcc self-diffusion anomaly

F. Willaime, A. Satta, Maylise Nastar et al. · International Journal of Quantum Chemistry · 2000 · 33 citations

Engineering, Electronic Structure, Quantum Materials +18