Transport of hydrogen species in a single crystal SrTiO3

Ab initio charge analysis of pure and hydrogenated perovskites

“…Hydrides have been suggested, e.g., in mayenite ͑Ca 12 Al 14 O 33 ͒, SiO 2 , ZnO, and MgO, [10][11][12] and recently an apparent hydride conductivity has been measured in several doped and undoped oxides. [13][14][15][16] Even the existence of nascent uncharged H has been suggested. 5,12 To assist in resolving this matter, we have performed a density functional theory ͑DFT͒ study of the charge distribution and evolution during transport of hydrogen defects.…”

Conductivity and structure of sub-micrometric SrTiO3–YSZ composites

“…Since the Na in SrTiO3 is hygroscopic [13], this might suggest proton conduction. Proton conduction has been reported in Sc-doped SrTiO3 [14][15][16][17]. Figure 5a shows an impedance plot of a tested composite in air at 600 °C.…”

“…Protons are potential charge carriers due to the hydrophilic nature of Na [13] and the known capability of the 7 SrTiO3 perovskite to incorporate water into its lattice [14,15,16,17]. Hole conductivity or oxygen ions are also expected to transport charge in SrTiO3 [12,18,19].…”

Quantum Chemistry in Proton-Conductors

“…[48][49][50] The proton-conduction in perovskite-type titanate has also attracted much interest, mainly on an academic level. [51][52][53][54] It is because SrTiO 3 perovskite exhibits solubility of water in the presence of water vapor. In this section, the proton-conducting mechanism of BaZrO 3 11 and SrTiO 3 55,56 is reviewed, in comparison with the new proton-conductor of LaAlO 3 .…”