Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Synthesis Method and Thermodynamic Characteristics of Anode Material Li3FeN2 for Application in Lithium-Ion Batteries

Version 1 : Received: 1 October 2021 / Approved: 4 October 2021 / Online: 4 October 2021 (11:54:45 CEST)

How to cite: Popovich, A.; Novikov, P.; Aleksandrov, D.; Pushnitsa, K.; Wang, Q. Synthesis Method and Thermodynamic Characteristics of Anode Material Li3FeN2 for Application in Lithium-Ion Batteries. Preprints 2021, 2021100053 (doi: 10.20944/preprints202110.0053.v1). Popovich, A.; Novikov, P.; Aleksandrov, D.; Pushnitsa, K.; Wang, Q. Synthesis Method and Thermodynamic Characteristics of Anode Material Li3FeN2 for Application in Lithium-Ion Batteries. Preprints 2021, 2021100053 (doi: 10.20944/preprints202110.0053.v1).

Abstract

Li3FeN2 material was synthesized by two-step solid-state method from Li3N (adiabatic camera) and FeN2 (tube furnace) powders. Phase investigation of Li3N, FeN2 and Li3FeN2 were carried out. Discharge capacity of Li3FeN2 is 343 mAh g-1, that is about 44.7% of theoretic capacity. The molar heat capacity of Li3FeN2 at constant pressure in the temperature range 298-900 K should be calculated as Cp,m = 77,831 + 0,130 × T – 6,289 × T-2, where T is absolute temperature, . Thermodynamic characteristics of Li3FeN2 were determined as next: entropy S0298 = 116.2 J mol-1 K-1, molar enthalpy of dissolution ΔdHLFN = ˗ 206,537 ± 2,8 kJ mol−1, the standard enthalpy of formation ΔfH0 = ˗ 291.331 ± 5.7 kJ mol−1, entropy S0298 = 113.2 J mol-1 K-1 (Neumann-Kopp rule) and 116.2 J mol-1 K-1 (W.Herz rule), the standard Gibbs free energy of formation ∆f G0298 = ˗276,7 kJ mol-1.

Keywords

lithium-ion battery; anode battery; lithium-ion thermodynamics; solid-state synthesis

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