MXenes exhibit excellent conductivity, tunable surface
chemistry,
and high surface area. Particularly, the surface reactivity of MXenes
strongly depends on surface exposed atoms or terminated groups. This
study examines three types of MXenes with oxygen, fluorine, and chlorine
as respective terminal atoms and evaluates their electrosorption,
desorption, and oxidative properties. Two perfluorocarboxylic acids
(PFCAs), perfluorobutanoic acid (PFBA) and perfluorooctanoic acid
(PFOA) are used as model persistent micropollutants for the tests.
The experimental results reveal that O-terminated MXene achieves a
significantly higher adsorption capacity of 215.9 mg·g–1 and an oxidation rate constant of 3.9 × 10–2 min–1 for PFOA compared to those with F and Cl
terminations. Electrochemical oxidation of the two PFCAs (1 ppm) with
an applied potential of +6 V in a 0.1 M Na2SO4 solution yields >99% removal in 3 h. Moreover, PFOA degrades
about
20% faster than PFBA on O-terminated MXene. The density functional
theory (DFT) calculations reveal that the O-terminated MXene surface
yielded the highest PFOA and PFBA adsorption energy and the most favorable
degradation pathway, suggesting the high potential of MXenes as highly
reactive and adsorptive electrocatalysts for environmental remediation.