K. Oware Sarfo, Murkute, P., O. Isgor, B., Zhang, Y., Tucker, J., and Árnadóttir, L.,
“Density Functional Theory Study of the Initial Stages of Cl-Induced Degradation of α-Cr 2 O 3 Passive Film”,
Journal of The Electrochemical Society, vol. 167, no. 12, p. 121508, 2020.
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.