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The possibility to control electrokinetic transport through carbon andhexagonal boron nitride (hBN) nanotubes has recently opened new avenues fornanofluidic approaches to face outstanding challenges such as energy productionand conversion or water desalination. The $p$H-dependence of experimentaltransport coefficients point to the sorption of hydroxide ions as themicroscopic origin of the surface charge and recent ab initio calculationssuggest that these ions behave differently on carbon and hBN, with onlyphysisorption on the former and both physi- and chemisorption on the latter.Using classical non-equilibrium molecular dynamics simulations of interfacesbetween an aqueous electrolyte and three models of hBN and graphite surfaces,we demonstrate the major influence of the sorption mode of hydroxide ions onthe interfacial transport properties. Physisorbed surface charge leads to aconsiderable enhancement of the surface conductivity as compared to itschemisorbed counterpart, while values of the $\zeta$-potential are lessaffected . The analysis of the MD results for the surface conductivity and$\zeta$-potential in the framework of Poisson-Boltzmann-Stokes theory, as isusually done to analyze experimental data, further confirms the importance oftaking into account both the mobility of surface hydroxide ions and thedecrease of the slip length with increasing titratable surface charge density.

Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport: carbon versus boron-nitride surface