Electrical double layer properties of spherical oxide nanoparticles.
The accurate characterization of the electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we use classical solvation density functional theory and a surface complexation model to investigate the effects of the pH and the nanoparticle size on the structural and electrostatic properties of an electrolyte solution surrounding a spherical silica oxide nanoparticle. The formulation has been particularly useful for identifying dominant interactions governing the ionic driving force at a variety of pH levels and nanoparticle sizes. As a result of the energetic interplay displayed between electrostatic potential, ion-ion correlation and particle crowding effects on the nanoparticle surface titration, rich, non-trivial ion density profiles and mean electrostatic potential behavior have been found.
Department of Physics and Astronomy, The University of Texas at San Antonio, San Antonio, TX 78249-5003, USA. marcelo.marucho@utsa.edu.
Christian
C
Hunley
Department of Physics and Astronomy, The University of Texas at San Antonio, San Antonio, TX 78249-5003, USA. marcelo.marucho@utsa.edu.
Marcelo
http://orcid.org/0000-0003-0939-1901
M
Marucho
D055590:Electromagnetic Phenomena; D006863:Hydrogen-Ion Concentration; D008956:Models, Chemical; D053758:Nanoparticles / Q000737:chemistry*; D010087:Oxides / Q000737:chemistry*; D010316:Particle Size; D012822:Silicon Dioxide / Q000737:chemistry; D055672:Static Electricity
D010087:Oxides; D012822:Silicon Dioxide