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Significantly improved de/rehydrogenation properties of lithium borohydride modified with hexagonal boron nitride

机译:六方氮化硼改性的硼氢化锂的显着改善的脱氢/再氢化性能

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The remarkable hydrogen de/absorption properties of lithium borohydride are achieved by mechanically milling LiBH4 with hexagonal boron nitride (h-BN). It is found that the dehydrogenation properties of LiBH4 are improved with increasing the amount of h-BN. The 30 mol% h-BN doped LiBH4 composite starts to release hydrogen from just 180 degrees C, which is 100 degrees C lower than the onset dehydrogenation temperature of ball milled LiBH4. Moreover, the 30 mol% h-BN doped LiBH4 composite can release 12.6 wt% hydrogen in 2 h at 400 degrees C, while only 0.98 wt% H-2 is gained from ball milled LiBH4. The apparent activation energy (Ea) of hydrogen desorption had been reduced from 198.31 kJ mol(-1) for ball milled LiBH4 to 155.8 kJ mol(-1) for 30 mol% h-BN doped LiBH4. In addition, the rehydrogenation of the composite is achieved under 400 degrees C and 10 MPa of H-2. These remarkable results are largely attributed to the lone pair electrons of nitrogen induced destabilization of LiBH4 and their heterogeneous nucleation.
机译:通过将LiBH4与六方氮化硼(h-BN)机械研磨,可获得硼氢化锂的出色的氢脱氢/吸收性能。发现随着h-BN含量的增加,LiBH4的脱氢性能得到改善。掺有30 mol%h-BN的LiBH4复合物仅从180摄氏度开始释放氢,这比球磨LiBH4的起始脱氢温度低100摄氏度。此外,掺有30 mol%h-BN的LiBH4复合材料可在400摄氏度下2小时内释放12.6 wt%的氢,而球磨LiBH4仅获得0.98 wt%的H-2。氢解吸的表观活化能(Ea)从球磨LiBH4的198.31 kJ mol(-1)降低到30摩尔%h-BN掺杂的LiBH4的155.8 kJ mol(-1)。另外,在400℃和10MPa的H-2下实现了复合物的再氢化。这些非凡的结果在很大程度上归因于氮引起的LiBH4失稳及其异质成核的孤对电子。

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