Comprehensive Investigation of Anion Species in Crystalline Li+ ion Conductor Li27-x[P4O7+xN9-x]O3 (x≈1.9(3))

被引：5

作者：

Schneider, Stefanie ^{[1
]}

Wendinger, Eva-Maria ^{[1
]}

Baran, Volodymyr ^{[2
,3
]}

Hatz, Anna-Katharina ^{[1
,4
]}

Lotsch, Bettina V. ^{[1
,4
]}

Nentwig, Markus ^{[5
]}

Oeckler, Oliver ^{[5
]}

Braeuniger, Thomas ^{[1
]}

Schnick, Wolfgang ^{[1
]}

机构：

[1] Univ Munich LMU, Dept Chem, Butenandtstr 5-13D, D-81377 Munich, Germany

[2] Tech Univ Munich, Heinz Maier Leibnitz Zent, FRM 2, Lichtenbergstr 1 D, D-85748 Garching, Germany

[3] Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany

[4] Max Planck Inst Solid State Res, Heisenbergstr 1 D, D-70569 Stuttgart, Germany

[5] Kristallog & Materialwissensch, Fak Chem & Mineral, Inst Mineral, Scharnhorststr 20 D, D-04275 Leipzig, Germany

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2023年 / 29卷 / 27期

关键词：

conducting materials; lithium; neutron diffraction; NMR spectroscopy; solid-state structures; LITHIUM PHOSPHORUS OXYNITRIDE; LIPON; NITROGEN; GLASSES; LI7PN4;

D O I：

10.1002/chem.202300174

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Li+ ion conductor Li27-x[P4O7+xN9-x]O-3 (x approximate to 1.9) has been synthesized from P3N5, Li3N and Li2O in a Ta ampoule at 800 degrees C under Ar atmosphere. The cubic compound crystallizes in space group I (4) over bar 3d with a=12.0106(14) angstrom and Z=4. It contains both non-condensed [PO2N2](5-) and [PO3N](4-) tetrahedra as well as O2- ions, surrounded by Li+ ions. Charge neutrality is achieved by partial occupancy of Li positions, which was refined with neutron powder diffraction data. Measurements of the partial ionic and electronic conductivity show a total ionic conductivity of 6.6x10(-8) S cm(-1) with an activation energy of 0.46 +/- 0.02 eV and a bulk ionic conductivity of 4x10(-6) S cm(-1) at 25 degrees C, which is close to the ionic conductivity of amorphous lithium nitridophosphate. This makes Li27-x[P4O7+xN9-x]O-3 an interesting candidate for investigation of structural factors affecting ionic conductivity in lithium oxonitridophosphates.

引用

页数：8

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