Density Functional Tight Binding Theory Approach for the CO2 Reduction Reaction Paths on Anatase TiO2 Surfaces

by Meysam Pazoki, Ernst Dennis Larsson, Jolla Kullgren
Published 2020-09-01

STM Images of Anionic Defects at CeO2(111)—A Theoretical Perspective

by Matthew J. Wolf, Christopher W. M. Castleton, Christopher W. M. Castleton, Kersti Hermansson, Jolla Kullgren
Published 2019-06-01

Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

by Byung-Hyun Kim, Byung-Hyun Kim, Jolla Kullgren, Matthew J. Wolf, Kersti Hermansson, Peter Broqvist
Published 2019-05-01