Accession Number:
AD1014169
Title:
Preventing Corrosion by Controlling Cathodic Reaction Kinetics
Descriptive Note:
Technical Report,01 Sep 2015,31 Mar 2016
Corporate Author:
University of Pittsburgh Office of Research Pittsburgh United States
Personal Author(s):
Report Date:
2016-03-25
Pagination or Media Count:
20.0
Abstract:
Anti-corrosion coatings have been well studied as physical barriers for corrosible materials. However, less work has been done to understand how the electronic structure of an anti-corrosion coatings can be designed to limit the electrochemical reaction rates of processes that drive corrosion, e.g. the oxygen reduction reaction ORR. To this end, we have used reactive force fields and first principles quantum chemistry to model electrocatalysis on amorphous Ti02 surfaces, an inexpensive and non-toxic coatings material. We report how surface models were obtained as well as feasible reaction pathways predicted using quantum chemistry. We then will show how metal dopants affect ORR reaction energies in order to better hinder ORR kinetics