Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces
Abstract
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 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 and 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.
- Authors:
- Publication Date:
- Research Org.:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1130674
- Report Number(s):
- PNNL-SA-95646
KC0203020
- DOE Contract Number:
- AC05-76RL01830
- Resource Type:
- Journal Article
- Journal Name:
- Langmuir, 29(37):11609-11614
- Additional Journal Information:
- Journal Name: Langmuir, 29(37):11609-11614
- Country of Publication:
- United States
- Language:
- English
- Subject:
- Molecular Dynamics Simulations; Self-Assembly; Templated Growth
Citation Formats
Darkins, Robert, Sushko, Maria L., Liu, Jun, and Duffy, Dorothy M. Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces. United States: N. p., 2013.
Web. doi:10.1021/la401469f.
Darkins, Robert, Sushko, Maria L., Liu, Jun, & Duffy, Dorothy M. Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces. United States. https://doi.org/10.1021/la401469f
Darkins, Robert, Sushko, Maria L., Liu, Jun, and Duffy, Dorothy M. 2013.
"Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces". United States. https://doi.org/10.1021/la401469f.
@article{osti_1130674,
title = {Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces},
author = {Darkins, Robert and Sushko, Maria L. and Liu, Jun and Duffy, Dorothy M.},
abstractNote = {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 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 and 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.},
doi = {10.1021/la401469f},
url = {https://www.osti.gov/biblio/1130674},
journal = {Langmuir, 29(37):11609-11614},
number = ,
volume = ,
place = {United States},
year = {Tue Sep 17 00:00:00 EDT 2013},
month = {Tue Sep 17 00:00:00 EDT 2013}
}
Other availability
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.