ChemInform Abstract: Lithium Phosphorus Nitride, Preparation and Refinement of the Crystal Structure of LiPN2.

Schnick, Wolfgang; Luecke, J.

doi:10.1002/chin.199051026

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2015

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“…(10) is smaller than the expected calculational error. For completeness, LiPN 2 which was prepared and analyzed experimentally 93,99 was also studied computationally 49 and its energy and lattice results are listed in Table 1 and 2. Its I42d (#122) structure with 2 formula units per unit cell is more complicated than the chain structures discussed in this section.…”

Section: Chain-structured Materialsmentioning

confidence: 99%

Crystalline Inorganic Solid Electrolytes: Computer Simulations and Comparisons with Experiment

Johannes¹,

Holzwarth²

2015

Handbook of Solid State Batteries

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This chapter presents examples of the use of first principles computer simulations in the study of two families of solid electrolyte materials-namely the family of Li phosphate, phospho-nitride, and thiophosphate materials and the family of Li oxide garnet materials. The simulation work together with related experimental studies of these solid electrolytes supports the continued development of all-solid-state battery technology. where the factor of 6 comes from the three-dimensionality of the diffusion path. This analysis was used in Sec. 3.5.

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Section: Chain-structured Materialsmentioning

confidence: 99%

Crystalline Inorganic Solid Electrolytes: Computer Simulations and Comparisons with Experiment

Johannes¹,

Holzwarth²

2015

Handbook of Solid State Batteries

View full text Add to dashboard Cite

show abstract

ChemInform Abstract: Lithium Phosphorus Nitride, Preparation and Refinement of the Crystal Structure of LiPN2.

Abstract: Pure LiPN2 is prepared by solid state reaction of an equimolar mixture of Li3N and P3N5 (800 °C, tungsten crucible, N2 atmosphere).

Cited by 1 publication

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Crystalline Inorganic Solid Electrolytes: Computer Simulations and Comparisons with Experiment

Crystalline Inorganic Solid Electrolytes: Computer Simulations and Comparisons with Experiment

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