Nanocatalysis Adsorption and Simulation Research Group

Blog

Our work on theoretical study on the enhancement of the selectivity of MXenes is featured in Phys. Chem. Chem. Phys.

March 7, 2018

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This theoretical work reported that four MXenes (i.e. M2C (M =Ti, V, Nb, Mo)) are very reactive and are attractive for catalytic applications. The O-functionalized MXenes are less reactive but more selective to particular gas species than the pristine MXenes. Our findings proposed the feasibility of using these O-MXenes in gas-separation, -capture, -sensing and catalytic applications. Check out the paper here.