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新虫 (初入文坛)

应助: 1 (幼儿园)
金币: 97.5
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在线: 50小时
虫号: 1272488
注册: 2011-04-21
专业: 电化学

[交流] JMC上的G.Ceder组的混合聚阴离子锂电池正极已有1人参与

MIT的G.Ceder通过计算预测混合聚阴离子型锂盐和钠盐的稳定性，以及电压容量和电化学稳定性。。

The discovery of new chemistries outperforming current lithium intercalation cathodes is of major technological importance. In this context, polyanionic systems with the potential to exchange multiple electrons per transition metal are particularly interesting because they could combine the safety of polyanion systems with higher specific energy. In this paper, we report on a series of new mixed polyanions compounds of formula Ax M(YO3)(XO4 ) (with A ：Na, Li; X：Si, As, P; Y ：C, B; M：a redox active metal; and x ! 0 to 3) identified by high-throughput ab initio computing. The computed stability of both lithium and sodium-based compounds is analyzed along with the voltage, specific energy and energy density of the lithium-based compounds. This analysis suggests several novel
carbonophosphates and carbonosilicates as potential high capacity (>200 mAh/g) and specific energy (>700 Wh/kg) cathode materials for lithium-ion batteries.

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附件 1 : Hautier_novel_mixed_polyanion_cathodes_by_HT_J_Mater_Chem_2011.pdf

2012-06-05 17:31:40, 299.13 K