Adhesion of Sodium Dodecyl Sulfate Surfactant Mono layers with TiO2 (Rutile and Anatase) Surfaces

作者：Darkins Robert; Sushko Maria L; Liu Jun; Duffy Dorothy M^*

来源：Langmuir, 2013, 29(37): 11609-11614.

DOI：10.1021/la401469f

Surfactants are widely used as templates to control the nucleation and growth of nanostructured metal oxides such as titania. To gain insight into the origin of the surfactant-titania interactions responsible for polymorph and orientation selection, we simulate the self-assembly of an anionic surfactant monolayer on various low-index titania surfaces, for a range of densities. We characterize the binding in each case and compute the adhesion energies, finding anatase (100) and rutile (110) to be the strongest-binding surfaces. The sodium counterions in the monolayer are found to dominate the adhesion. It is also observed that the assembly is directed predominantly by surface-monolayer electrostatic complementarity. Incorporating water displacement into the calculations does not alter the general findings but does cause the adhesion energies to fall within a smaller range.

• 出版日期2013-9-17