1. Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics. Issue 2 (15th December 2017) Authors: Florén, Carl-Robert; Van den Bossche, Maxime; Creaser, Derek; Grönbeck, Henrik; Carlsson, Per-Anders; Korpi, Heikki; Skoglundh, Magnus Journal: Catalysis science & technology Issue: Volume 8:Issue 2(2018) Page Start: 508 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization. Issue 46 (19th November 2021) Authors: Van den Bossche, Maxime; Goniakowski, Jacek; Noguera, Claudine Journal: Nanoscale Issue: Volume 13:Issue 46(2021) Page Start: 19500 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Understanding the structural diversity of freestanding Al2O3 ultrathin films through a DFTB-aided genetic algorithm. Issue 10 (5th March 2020) Authors: Van den Bossche, Maxime; Noguera, Claudine; Goniakowski, Jacek Journal: Nanoscale Issue: Volume 12:Issue 10(2020) Page Start: 6153 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗