Microscopic calculations to predict the temperature dependence of the electron transfer rate in the outer sphere reaction Fe/sup 3+/ yields Fe/sup 2+/ at a gold electrode

Conference · Thu Jan 01 00:00:00 EST 1987

OSTI ID:6161182

Halley, J W; Hautman, J; Rahman, A; Curtiss, L

The study of electron transfer processes has always been known to be central to the understanding of electrochemical processes. This work develops a model to calculate the temperature dependence of a well known electron transfer reaction from first principles. The reaction is the ferrous-ferric electron transfer reaction in HClO/sub 4/ at a gold electrode. In this reaction, the iron is aquo-coordinated, which simplifies the modeling problem.

• Research Organization: Minnesota Univ., Minneapolis (USA). School of Physics and Astronomy; Argonne National Lab., IL (USA)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6161182
• Report Number(s): CONF-870560-2; ON: DE87011423; TRN: 87-031582
• Resource Relation: Conference: 171. Electrochemical Society meeting, Philadelphia, PA, USA, 10 May 1987; Other Information: Paper copy only, copy does not permit microfiche production
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRON TRANSFER
TEMPERATURE DEPENDENCE
REACTION KINETICS
ALGORITHMS
IRON
MATHEMATICAL MODELS
POLARIZABILITY
ELECTRICAL PROPERTIES
ELEMENTS
KINETICS
MATHEMATICAL LOGIC
METALS
PHYSICAL PROPERTIES
TRANSITION ELEMENTS
656002* - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)