Upper limit of nitrogen content in carbon materials.
Upper limit of nitrogen content in carbon materials.
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DOI：
10.1002/anie.201410234
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发表时间：
2015-01
影响因子：
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通讯作者：
Shiguo Zhang;S. Tsuzuki;K. Ueno;Kaoru Dokko;M. Watanabe
中科院分区：
文献类型：
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作者：
Shiguo Zhang;S. Tsuzuki;K. Ueno;Kaoru Dokko;M. Watanabe
氮掺杂碳材料在各个领域发挥着重要作用。大量的努力致力于获得具有高氮含量的碳材料;然而，关于氮掺杂材料的结构和这种化合物可能的最大氮含量仍然是未知的。在这里，我们展示了一个有趣的N/C摩尔比和NDC的N含量之间的关系。估计可能实现的NDC的氮含量的上限，并发现其强烈依赖于碳化温度（在1000 °C下为14.32重量%，在900 °C下为21.66重量%），而与前体或制备条件无关。模拟表明，特别是在高温下得到的碳结构中，氮原子总是位于石墨构型中的单独的六边形部分上，从而产生非常接近从实验结果估计的值的临界N/C摩尔比。
Nitrogen-doped carbon materials (NDCs) play an important role in various fields. A great deal of effort has been devoted to obtaining carbon materials with a high nitrogen content; however, much is still unknown about the structure of the nitrogen-doped materials and the maximum nitrogen content possible for such compounds. Here, we demonstrate an interesting relationship between the N/C molar ratio and the N content of NDCs. The upper limit for the nitrogen content of NDCs that might be achieved was estimated and found to strongly depend on the carbonization temperature (14.32 wt% at 1000 °C and 21.66 wt% at 900 °C), irrespective of the precursor or preparation conditions. Simulations suggest that, especially in the carbon architectures obtained at high temperatures, nitrogen atoms are always located on separate hexagon moieties in a graphitic configuration, thereby yielding a critical N/C molar ratio very close to the value estimated from the experimental results.