Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion.
Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion.
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N2 活化的异质催化和化学循环途径：一般讨论。
DOI：
10.1039/d3fd90010j
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发表时间：
2023
影响因子：
3.4
通讯作者：
Abi Ghaida F
中科院分区：
文献类型：
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作者：
Abi Ghaida F
Justin SJ Hargreaves在Hideo Hosono的介绍性演讲中展开了讨论：在常规负载钌催化氨合成的情况下，颗粒尺寸存在很大的差异，这可能与B5活性位点的表达有关。在负载钌的氧化物的情况下，任何结构敏感性的性质是否不同？细野秀夫回应：Ru B5位点表现出高活性。我认为这也是真正的支持。钌的作用是促进电子进入Ru上吸附的N2，导致N2解离。需要补充的一点是：LaRuSi是一种分层晶体。Ru原子形成平面单元，没有B5位点，但这种材料工作良好。与纯Ru粉相比，其翻转频率（TOF）提高了600倍。密度泛函理论（DFT）计算表明，N2的解离容易发生在暴露的Ru平面的LaRuSi。系统的研究结果表明，LnRuSi中的负电荷层状Ru是一种不同于B5位的新型活性位。1我认为活跃的网站不限于B5网站。
Justin SJ Hargreaves opened discussion of the introductory lecture by Hideo Hosono: In the case of conventionally supported ruthenium catalysed ammonia synthesis there is a strong in uence of particle size which can be associated with the expression of B5 active sites. In the case of electride supported ruthenium is the nature of any structure sensitivity different?Hideo Hosono responded: Ru B5 sites exhibit high activity. I think this is also true for the electride support. The role of the electride is promotion of electrons to the N2 absorbed on the Ru, leading to N2 dissociation. One thing to add: LaRuSi is a layered crystal. Ru atoms form a planar unit, with no B5 site, but this material works well. The turnover frequency (TOF) is 600 times higher than that of pure Ru powder. Density functional theory (DFT) calculations revealed that the dissociation of N2 occurs easily on the exposed Ru plane of LaRuSi. A systematic study provides rm evidence that layered Ru with a negative charge in LnRuSi is a new type of active site that differs signi cantly from B5 sites. 1 I think the active site is not restricted to B5 sites.