On the defective origin of conductive and structural properties of oxides: insights from first principles
Doktorsavhandling, 2017
point defects
thermodynamic modeling
proton conductors
oxyhydrides
density-functional theory
BaZrO3
polarons
grain boundaries
space charges
oxides
Författare
Anders Lindman
Chalmers, Fysik, Material- och ytteori
Inkluderade delarbeten
Implications of the band gap problem on oxidation and hydration in acceptor-doped barium zirconate
Physical Review B - Condensed Matter and Materials Physics,;Vol. 91(2015)p. Art. no. 245114-
Artikel i vetenskaplig tidskrift
Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3
Fuel Cells,;Vol. 13(2013)p. 19-28
Artikel i vetenskaplig tidskrift
Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210) 001 tilt grain boundary
Solid State Ionics,;Vol. 252(2013)p. 121-125
Artikel i vetenskaplig tidskrift
Size and shape of oxygen vacancies and protons in acceptor-doped barium zirconate
Solid State Ionics,;Vol. 275(2015)p. 2-8
Artikel i vetenskaplig tidskrift
Polaronic contributions to oxidation and hole conductivity in acceptor-doped BaZrO₃
Physical Review B,;Vol. 94(2016)
Artikel i vetenskaplig tidskrift
Lindman, A., Bjørheim, T. S., Wahnström, G., Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations
Manuskript
Helgee, E. E., Lindman, A., Wahnström, G., Differences in space-charge formation at grain boundaries in BaZrO3 and BaCeO3
Manuskript
Jedvik Granhed, E., Lindman, A., Österberg, C., Karlsson, M., Wahnström, G., Vibrational characterization of electronic defects in oxyhydride barium titanate
Manuskript
Linderälv, C., Lindman, A, Erhart, P., A unifying perspective on oxygen vacancies in wide band gap oxides
Manuskript
Kategorisering
Drivkrafter
Hållbar utveckling
Ämneskategorier (SSIF 2011)
Materialkemi
Den kondenserade materiens fysik
Identifikatorer
ISBN
978-91-7597-587-0
Övrigt
Serie
Doktorsavhandlingar vid Chalmers tekniska högskola. Ny serie: 4268
Utgivare
Chalmers
Examination
2017-06-09 16:00
PJ
Opponent: Sverre Magnus Selbach, Institutt for materialteknologi, NTNU, Norge