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Manipulating interstitial carbon atoms in the nickel octahedral site for highly efficient hydrogenation of alkyne.
Nature Communications ( IF 16.6 ) Pub Date : 2020-07-03 , DOI: 10.1038/s41467-020-17188-3
Yiming Niu 1, 2 , Xing Huang 3, 4 , Yongzhao Wang 1, 2 , Ming Xu 5 , Junnan Chen 1, 2 , Shuliang Xu 6 , Marc-Georg Willinger 3, 4 , Wei Zhang 7 , Min Wei 5 , Bingsen Zhang 1, 2
Affiliation  

Light elements in the interstitial site of transition metals have strong influence on heterogeneous catalysis via either expression of surface structures or even direct participation into reaction. Interstitial atoms are generally metastable with a strong environmental dependence, setting up giant challenges in controlling of heterogeneous catalysis. Herein, we show that the desired carbon atoms can be manipulated within nickel (Ni) lattice for improving the selectivity in acetylene hydrogenation reaction. The radius of octahedral space of Ni is expanded from 0.517 to 0.524 Å via formation of Ni3Zn, affording the dissociated carbon atoms to readily dissolve and diffuse at mild temperatures. Such incorporated carbon atoms coordinate with the surrounding Ni atoms for generation of Ni3ZnC0.7 and thereof inhibit the formation of subsurface hydrogen structures. Thus, the selectivity and stability are dramatically improved, as it enables suppressing the pathway of ethylene hydrogenation and restraining the accumulation of carbonaceous species on surface.



中文翻译:

处理镍八面体位点的间隙碳原子,以实现炔烃的高效加氢。

过渡金属的间隙位点中的轻元素通过表面结构的表达甚至直接参与反应,对非均相催化有很大影响。间隙原子通常是亚稳态的,具有很强的环境依赖性,在控制多相催化方面提出了巨大挑战。在本文中,我们表明可以在镍(Ni)晶格内操纵所需的碳原子,以提高乙炔加氢反应的选择性。通过形成Ni 3 Zn,Ni的八面体空间的半径从0.517扩大到0.524Å ,使离解的碳原子易于在温和的温度下溶解和扩散。这种结合的碳原子与周围的Ni原子配位以产生Ni 3。ZnC 0.7及其抑制了地下氢结构的形成。因此,极大地提高了选择性和稳定性,因为它可以抑制乙烯加氢的途径并抑制碳质物质在表面上的积累。

更新日期:2020-07-03
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