脱氢
氢气储存
催化作用
氢
解吸
材料科学
密度泛函理论
化学工程
无机化学
化学
物理化学
计算化学
吸附
有机化学
工程类
作者
Yuan Zhao,Qingshuang Wang,Dongming Yin,Shouliang Li,Chunli Wang,Long Liang,Shaolei Zhao,Chunmin Zhang,Limin Wang,Yong Cheng
标识
DOI:10.1016/j.ijhydene.2023.09.049
摘要
The high dehydrogenation temperature of α-AlH3 has always been an important factor hindering its development. In order to solve this problem, we synthesize Bi-MOF by hydrothermal method and burn it under inert gas to obtain Bi@C, which is used as catalyst (xBi@C, x = 3, 5 and 7 wt%) to improve the hydrogen desorption performance of α-AlH3. The dehydrogenation onset temperature of α-AlH3+5 wt% Bi@C drop to 80.4 °C, which is reduced by 43.4% compared with pure α-AlH3. At 120 °C, it can provide a stable hydrogen capacity of 7.45 wt%. In contrast, pure α-AlH3 releases only 6.66 wt% hydrogen at the same time. The density functional theory calculations further indicate that the existence of Bi@C catalyst can make the Al–H bond length increase, more conducive to the release of hydrogen. The results show that the synergistic effect of Bi and porous carbon in Bi@C materials can improve the hydrogen desorption kinetics of α-AlH3, providing a good prospect for the application of α-AlH3 in hydrogen storage.
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