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Found 6 results
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Pang, Qin
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2020
Q. Pang
,
DorMohammadi, H.
,
O. Isgor, B.
, and
Árnadóttir, L.
,
“
The Effect of Surface Defects on Chloride-Induced Depassivation of Iron—A Density Functional Theory Study
”
,
Corrosion
, vol. 76, no. 7, pp. 690 - 697, 2020.
2019
Q. Pang
,
DorMohammadi, H.
,
O. Isgor, B.
, and
Árnadóttir, L.
,
“
The effect of surface vacancies on the interactions of Cl with a α-Fe2O3 (0001) surface and the role of Cl in depassivation
”
,
Corrosion Science
, vol. 154, pp. 61 - 69, 2019.
H. DorMohammadi
,
Pang, Q.
,
Murkute, P.
,
Árnadóttir, L.
, and
O. Isgor, B.
,
“
Investigation of chloride-induced depassivation of iron in alkaline media by reactive force field molecular dynamics
”
,
npj Materials Degradation
, vol. 3, no. 1, 2019.
H. DorMohammadi
,
Pang, Q.
,
Murkute, P.
,
Árnadóttir, L.
, and
O. Isgor, B.
,
“
Investigation of iron passivity in highly alkaline media using reactive-force field molecular dynamics
”
,
Corrosion Science
, vol. 157, pp. 31 - 40, 2019.
2018
H. DorMohammadi
,
Pang, Q.
,
Árnadóttir, L.
, and
O. Isgor, B.
,
“
Atomistic simulation of initial stages of iron corrosion in pure water using reactive molecular dynamics
”
,
Computational Materials Science
, vol. 145, pp. 126 - 133, 2018.
2017
Q. Pang
,
DorMohammadi, H.
,
O. Isgor, B.
, and
Árnadóttir, L.
,
“
Density functional theory study on the effect of OH and Cl adsorption on the surface structure of α-Fe2O3
”
,
Computational and Theoretical Chemistry
, vol. 1100, pp. 91 - 101, 2017.