18 citations · 22 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2015★ 18 cited
How the aggregation of oxygen vacancies in rutile based TiO phases causes memristive behavior
Wolfgang Heckel, Michael Wehlau, Sascha B. Maisel +3
The results of a comprehensive and systematic ab-initio based ground-state search for the structural arrangement of oxygen vacancies in rutile phase TiO provide new insights in…
cond-mat.mtrl-sci2013★ 4 cited
A permutation invariant collective variable to track and drive vacancy dynamics in simulations of solids
Jan M. Knaup, Michael Wehlau, Thomas Frauenheim
Vacancy dynamics in oxides are vital for understanding redox reactions and resulting memristive effects or catalytic activity. We present a method to track and drive vacancies whic…