On the defective origin of conductive and structural properties of oxides: insights from first principles
Doktorsavhandling, 2017

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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

Mer information

Senast uppdaterat

2018-10-19