LEADER 03393nam 22006255 450 001 9910991175903321 005 20250327123505.0 010 $a9789819625529 010 $a9819625521 024 7 $a10.1007/978-981-96-2552-9 035 $a(CKB)38125065200041 035 $a(DE-He213)978-981-96-2552-9 035 $a(MiAaPQ)EBC31979200 035 $a(Au-PeEL)EBL31979200 035 $a(EXLCZ)9938125065200041 100 $a20250327d2025 u| 0 101 0 $aeng 135 $aur||||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aDiscovery of Ba7Nb4MoO20-Based Materials and the Mechanism of Ultrafast Ion Conduction Via Dimers /$fby Yuichi Sakuda 205 $a1st ed. 2025. 210 1$aSingapore :$cSpringer Nature Singapore :$cImprint: Springer,$d2025. 215 $a1 online resource (X, 99 p. 67 illus., 62 illus. in color.) 225 1 $aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061 311 08$a9789819625512 311 08$a9819625513 327 $aIntroduction -- Improvement of oxide-ion conductivity and suppression of proton conduction by Cr6+ doping in Ba7Nb4MoO20-based materials -- Dimer mediated cooperative mechanism of ultrafast-ion conduction in hexagonal perovskite-related oxides -- Summary. 330 $aThis book provides detailed descriptions of strategies for improving ion conductivity and the factors that result in high ion conductivity. In this book, discovery of novel materials that exhibit higher ion conductivity than practical materials is introduced to clarify the migration mechanism of oxide ions and protons. The book shows that the bulk conductivity of hexagonal perovskite-related oxide Ba7Nb3.8Mo1.2O20.1 in dry air is 1.1 mS/cm at 306 °C, which is 175 times higher than that of practical materials (ZrO2)0.92(Y2O3)0.08 (8YSZ). Also, as a new approach to the subject, by ab initio molecular dynamics (AIMD) simulations and neutron-diffraction experiments, the mechanism is shown that the oxide ions migrate by the breaking and reforming of M2O9 (M = Nb, Mo) dimers, MO5 monomers and MO4 tetrahedra. The oxide-ion migration is reminiscent of a concerted push-pull interstitialcy ?bucket-relay?-type motions. Readers can understand the oxide-ion and proton migration mechanism in terms of crystal structure. Recently, materials that exhibit high ionic conductivity have been discovered one after another. 410 0$aSpringer Theses, Recognizing Outstanding Ph.D. Research,$x2190-5061 606 $aElectric batteries 606 $aMaterials 606 $aChemistry, Inorganic 606 $aElectrochemistry 606 $aBatteries 606 $aInorganic Chemistry 606 $aElectrochemistry 615 0$aElectric batteries. 615 0$aMaterials. 615 0$aChemistry, Inorganic. 615 0$aElectrochemistry. 615 14$aBatteries. 615 24$aInorganic Chemistry. 615 24$aElectrochemistry. 676 $a620.11 676 $a621.31242 700 $aSakuda$b Yuichi$4aut$4http://id.loc.gov/vocabulary/relators/aut$01803073 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910991175903321 996 $aDiscovery of Ba7Nb4MoO20-Based Materials and the Mechanism of Ultrafast Ion Conduction Via Dimers$94349664 997 $aUNINA