Nitrogen-stimulated superior catalytic activity of niobium oxide for fast full hydrogenation of magnesium at ambient temperature
Nitrogen-stimulated superior catalytic activity of niobium oxide for fast full hydrogenation of magnesium at ambient temperature
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氮刺激氧化铌的优异催化活性，可在环境温度下快速完全氢化镁
DOI：
10.1016/j.ensm.2019.05.029
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发表时间：
2019-12
影响因子：
20.4
通讯作者：
Liu Yongfeng
中科院分区：
文献类型：
--
作者：
Wang Ke;Zhang Xin;Ren Zhuanghe;Zhang Xuelian;Hu Jianjiang;Gao Mingxia;Pan Hongge;Liu Yongfeng
氢化镁（MgH 2）是最有前途的高容量储氢材料之一。然而，在环境条件下将氢储存在镁中的进展有限。在这里，我们首次证明了脱氢的MgH 2在含N的Nb 2 O 5（N-Nb 2 O 5）的存在下在100 °C以下完全氢化。掺杂有N-Nb 2 O 5（10wt%）的MgH 2复合材料从170 °C释放氢，与原始MgH 2相比降低了130 °C，同时仍然具有6.3wt%的可用氢容量。最重要的是，通过脱氢的含N-Nb 2 O 5的样品可以在低至70 °C的温度下在50大气压的氢气下实现完全氢化，这上级优于其它已知的催化剂掺杂的MgH 2体系。原位形成的NbN0.9O0.1起着关键的催化剂作用，由于N和Nb的联合行动，阐明了通过密度泛函理论（DFT）计算。这一发现大大促进了未来设计和探索更高性能的催化剂，用于在金属催化剂中进行室温储氢。
Magnesium hydride (MgH2) is one of the most promising high-capacity hydrogen storage materials. However, limited progress has been made in storing hydrogen in Mg under ambient conditions. Here, we demonstrate for the first time that the dehydrogenated MgH2is fully hydrogenated below 100 °C with the presence of N-containing Nb2O5(N-Nb2O5). MgH2composites doped with N-Nb2O5(10 wt%) releases hydrogen from 170 °C, which is lowered by 130 °C compared with pristine MgH2, while still having 6.3 wt% hydrogen capacity available. Most importantly, full hydrogenation can be achieved by the dehydrogenated N-Nb2O5-containing sample at temperature as low as 70 °C under 50 atm of hydrogen, which is superior to other known catalyst-doped MgH2systems. The in-situ formed NbN0.9O0.1plays the critical catalyst role due to the joint action of N and Nb as elucidated by density functional theory (DFT) calculations. This finding remarkably facilitates the future design and exploration of much higher-performance catalysts for room-temperature hydrogen storage in metal hydrides.
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DOI：
10.3891/acta.chem.scand.08-0208
发表时间：
1954
期刊：
Acta Chemica Scandinavica
影响因子：
--
作者：
N. Schönberg;W. Overend;A. Munthe-Kaas;N. A. Sörensen
通讯作者：
N. Schönberg;W. Overend;A. Munthe-Kaas;N. A. Sörensen
影响因子：
9.4
作者：
J. Hu;E. Röhm;M. Fichtner
通讯作者：
J. Hu;E. Röhm;M. Fichtner
影响因子：
5
作者：
Michel L. Trudeau
通讯作者：
Michel L. Trudeau
影响因子：
1.9
作者：
Du, A. J.;Smith, Sean C.;Lu, G. Q.
通讯作者：
Lu, G. Q.
影响因子：
3.7
作者：
C. Zlotea;Y. Oumellal;Son-Jong Hwang;C. Ghimbeu;P. Jongh;M. Latroche
通讯作者：
C. Zlotea;Y. Oumellal;Son-Jong Hwang;C. Ghimbeu;P. Jongh;M. Latroche