ANR CCC (ComputationalCarbonCapture)

JCJC program 2015-2020

We propose to develop novel MOFs that can capture CO2 more efficiently compared to existing materials by applying orginal strategies. Specifically, we propose to computationally design MOFs whose affinity for CO2 can be modified under light irradiation or by heating so that the adsorption and desorption can be performed each at the most convenient conditions, allowing to achieve a high energy efficiency and therefore a limited cost. We will study two families of MOFs for this purpose, I) photoactive MOFs, whose pore topology is modified by light or UV treatment and II) spin crossover MOFs, whose interaction with CO2 changes as a result of electronic transition induced by temperature.


Charaf Azzam Eddin: postdoc funded by ANR

Claudio Attaccalite: CNRS researcher @ CINAM, collaborator

Li-Chiang Lin: Assistant Professor @ OSU, collaborator

Alberto Rodriguez Velamazan, beamline responsible @ ILL