Found 6 results
Author Title Type [ Year(Desc)]
Filters: Author is Pang, Qin  [Clear All Filters]
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.
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.
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.
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.