Hydrogen storage in novel organometallic buckyballs.
Hydrogen storage in novel organometallic buckyballs.
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DOI：
10.1103/physrevlett.94.155504
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发表时间：
2005-04
影响因子：
8.6
通讯作者：
Yufeng Zhao;Yong‐Hyun Kim;A. Dillon;M. Heben;Shengbai Zhang
中科院分区：
文献类型：
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作者：
Yufeng Zhao;Yong‐Hyun Kim;A. Dillon;M. Heben;Shengbai Zhang
与富勒烯结合的过渡金属（TM）原子被提议作为用于高密度、室温、环境压力储存氢气的吸附剂。 C60 或 C48B12 通过电荷转移相互作用分散 TM，产生稳定的有机金属巴基球 (OBB)。特定的钪 OBB 每个 TM 可以结合多达 11 个氢原子，其中 10 个氢原子以氢气的形式存在，可以可逆地吸附和解吸。在这种情况下，计算出的结合能约为 0.3 eV/H(2)，非常适合在车辆上使用。理论最大可回收氢气存储密度约为 9 wt%。
Transition metal (TM) atoms bound to fullerenes are proposed as adsorbents for high density, room temperature, ambient pressure storage of hydrogen. C60 or C48B12 disperses TMs by charge transfer interactions to produce stable organometallic buckyballs (OBBs). A particular scandium OBB can bind as many as 11 hydrogen atoms per TM, ten of which are in the form of dihydrogen that can be adsorbed and desorbed reversibly. In this case, the calculated binding energy is about 0.3 eV/H(2), which is ideal for use on board vehicles. The theoretical maximum retrievable H2 storage density is approximately 9 wt %.