For more information, see the introduction paper of iCon:
P. Hein, B.O.H. Grope, J. Koettgen, S. Grieshammer, M. Martin, iCon: A general lattice Kinetic Monte Carlo program, submitted.
The following publications use the program iCon:
2018
S. Grieshammer, S. Eisele, J. Koettgen, Modeling oxygen ion migration in the CeO2-Y2O3-ZrO2 solid solution, submitted.
2018
J. Koettgen, S. Grieshammer, P. Hein, B.O.H. Grope, M. Nakayama, and M. Martin, Understanding the ionic conductivity maximum in doped ceria: trapping and blocking, Physical Chemistry Chemical Physics 20 (2018) 14291-14321.
DOI: 10.1039/C7CP08535D
2017
J.R. Köttgen, The relation between defect interactions, local structure and oxygen ion conductivity in the bulk of doped ceria, Dissertation, RWTH Aachen University, 2017.
DOI: 10.18154/RWTH-2017-01919
2017
J. Koettgen, T. Zacherle, S. Grieshammer, and M. Martin, Ab initio calculation of the attempt frequency of oxygen diffusion
in pure and samarium doped ceria, Physical Chemistry
Chemical Physics 19 (2017) 9957-9973.
DOI: 10.1039/C6CP04802A
2015
B.O.H. Grope, Die Entwicklung eines allgemeinen Kinetik-Monte-Carlo-Frameworks zur Diffusion in Festkörpern, Dissertation, RWTH Aachen University, 2015.
RWTH Publications
2015
S.P. Grieshammer, Atomistic and macroscopic simulation of solid oxide electrolytes and electrolyzer cells, Dissertation, RWTH Aachen University, 2015.
RWTH Publications
2014
S. Grieshammer, B.O.H. Grope, J. Koettgen and M. Martin,
A combined DFT+U and Monte Carlo study on rare-earth
doped ceria, Physical Chemistry Chemical Physics 16
(2014) 9974-9986.
DOI: 10.1039/C3CP54811B