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New XLi3N2 compounds and their hydrides as hydrogen storage materials
New XLi3N2 compounds and their hydrides as hydrogen storage materials
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机译:新的XLi3N2化合物及其氢化物作为储氢材料
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摘要
State-of-the-art electronic structure calculations provide the likelihood of the availability of YLi3N2, ZrLi3N2, NbLi3N2, MoLi3N2, TcLi3N2, RuLi3N2, RhLi3N2, GeLi3N2, InLi3N2, and SnLi3N2 as for reaction with hydrogen under suitable conditions. Such calculations also provide the likelihood of the availability of YLi3N2Hn, ZrLi3N2Hn, NbLi3N2Hn, MoLi3N2Hn, TcLi3N2Hn, RuLi3N2Hn, RhLi3N2Hn, PdLi3N2Hn, AgLi3N2Hn, CdLi3N2Hn, AlLi3N2Hn, GaLi3N2Hn, GeLi3N2Hn, InLi3N2Hn, SnLi3N2Hn, and SbLi3N2H, (here n is an integer having a value of 1-6) as solid hydrides for the storage of hydrogen. These materials offer utility for hydrogen storage systems.
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机译:最新的电子结构计算提供了YLi 3 Sub> N 2 Sub>,ZrLi 3 Sub> N 2可用性的可能性 Sub>,NbLi 3 Sub> N 2 Sub>,MoLi 3 Sub> N 2 Sub>,TcLi 3 Sub> N 2 Sub>,RuLi 3 Sub> N 2 Sub>,RhLi 3 Sub> N 2 Sub>, GeLi 3 Sub> N 2 Sub>,InLi 3 Sub> N 2 Sub>和SnLi 3 Sub> N < Sub> 2 Sub>用于在适当条件下与氢反应。这样的计算还提供了YLi 3 Sub> N 2 Sub> H n Sub>,ZrLi 3 Sub> N 2 Sub> H n Sub>,NbLi 3 Sub> N 2 Sub> H n Sub>,MoLi 3 < / Sub> N 2 Sub> H n Sub>,TcLi 3 Sub> N 2 Sub> H n Sub>, RuLi 3 Sub> N 2 Sub> H n Sub>,RhLi 3 Sub> N 2 Sub> H n Sub>,PdLi 3 Sub> N 2 Sub> H n Sub>,AgLi 3 Sub> N 2 Sub> H n Sub>,CdLi 3 Sub> N 2 Sub> H n Sub>,AlLi 3 Sub> N 2 Sub> H n Sub>,GaLi 3 Sub> N 2 Sub> H n Sub>,GeLi 3 Sub> N 2 Sub> H n Sub>,InLi 3 Sub> N 2 Sub> H n Sub >,SnLi 3 Sub> N 2 Sub> H n Sub>和SbLi 3 Sub> N 2 Sub> H ,(其中n是值为1-6的整数)作为固态氢用于存储氢。这些材料为氢存储系统提供了实用性。
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