Abstract
Effects of the spatial separation, leading to the noninteracting character of the donor and acceptor, on the reorganization energy associated with small polaron mobility in iron oxides were investigated. It was observed that reorganization energy plays an important role in controlling the electron transfer rates. It was also observed that a degree of interaction between the initial and final states was yielded by comparing the reorganization energies of 4-point method and direct method. The results show that the reorganization energy is expected to be constant 2.1 eV independent of ET distance by a 4-point method.
| Original language | English |
|---|---|
| Pages (from-to) | 7050-7054 |
| Number of pages | 5 |
| Journal | Journal of Chemical Physics |
| Volume | 120 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - Apr 15 2004 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Reorganization energy associated with small polaron mobility in iron oxide. / Rosso, Kevin M.; Dupuis, Michel.
In: Journal of Chemical Physics, Vol. 120, No. 15, 15.04.2004, p. 7050-7054.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Reorganization energy associated with small polaron mobility in iron oxide
AU - Rosso, Kevin M.
AU - Dupuis, Michel
PY - 2004/4/15
Y1 - 2004/4/15
N2 - Effects of the spatial separation, leading to the noninteracting character of the donor and acceptor, on the reorganization energy associated with small polaron mobility in iron oxides were investigated. It was observed that reorganization energy plays an important role in controlling the electron transfer rates. It was also observed that a degree of interaction between the initial and final states was yielded by comparing the reorganization energies of 4-point method and direct method. The results show that the reorganization energy is expected to be constant 2.1 eV independent of ET distance by a 4-point method.
AB - Effects of the spatial separation, leading to the noninteracting character of the donor and acceptor, on the reorganization energy associated with small polaron mobility in iron oxides were investigated. It was observed that reorganization energy plays an important role in controlling the electron transfer rates. It was also observed that a degree of interaction between the initial and final states was yielded by comparing the reorganization energies of 4-point method and direct method. The results show that the reorganization energy is expected to be constant 2.1 eV independent of ET distance by a 4-point method.
UR - http://www.scopus.com/inward/record.url?scp=2342512923&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2342512923&partnerID=8YFLogxK
U2 - 10.1063/1.1676117
DO - 10.1063/1.1676117
M3 - Article
C2 - 15267606
AN - SCOPUS:2342512923
VL - 120
SP - 7050
EP - 7054
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 15
ER -