用于锂离子电池的负极材料LiFeN的合成方法及热力学特性

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

作者信息

Popovich Anatoliy, Novikov Pavel, Wang Qingsheng, Pushnitsa Konstantin, Aleksandrov Daniil

机构信息

Institute of Machinery, Materials, and Transport, Peter the Great St. Petersburg Polytechnic University, 195251 Saint Petersburg, Russia.

CHN/RUS New Energy and Material Technology Research Institute, Huzhou 313100, China.

出版信息

Materials (Basel). 2021 Dec 9;14(24):7562. doi: 10.3390/ma14247562.

DOI:10.3390/ma14247562

PMID:34947155

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8709375/

Abstract

LiFeN material was synthesized by the two-step solid-state method from LiN (adiabatic camera) and FeN (tube furnace) powders. Phase investigation of LiN, FeN, and LiFeN was carried out. The discharge capacity of LiFeN is 343 mAh g, which is about 44.7% of the theoretic capacity. The ternary nitride LiFeN molar heat capacity is calculated using the formula = 77.831 0.130 × T - 6289 × T, (T is absolute temperature, temperature range is 298-900 K, pressure is constant). The thermodynamic characteristics of LiFeN have the following values: entropy S = 116.2 J mol K, molar enthalpy of dissolution ΔH = -206.537 ± 2.8 kJ mol, the standard enthalpy of formation ΔH = -291.331 ± 5.7 kJ mol, entropy S = 113.2 J mol K (Neumann-Kopp rule) and 116.2 J mol K (W. Herz rule), the standard Gibbs free energy of formation ΔG = -276.7 kJ mol.

摘要

通过两步固态法由LiN（绝热相机）和FeN（管式炉）粉末合成了LiFeN材料。对LiN、FeN和LiFeN进行了物相研究。LiFeN的放电容量为343 mAh/g，约为理论容量的44.7%。三元氮化物LiFeN的摩尔热容使用公式 = 77.831 0.130×T - 6289×T计算（T为绝对温度，温度范围为298 - 900 K，压力恒定）。LiFeN的热力学特性具有以下值：熵S = 116.2 J mol K，溶解摩尔焓ΔH = -206.537 ± 2.8 kJ mol，标准生成焓ΔH = -291.331 ± 5.7 kJ mol，熵S = 113.2 J mol K（诺伊曼 - 科普规则）和116.2 J mol K（W. 赫兹规则），标准生成吉布斯自由能ΔG = -276.7 kJ mol。