Interaction of scandium and titanium atoms with a carbon surface containing fiveand seven-membered rings

Krasnov P.O.; Eliseeva N.S.; Kuzubov A.A.

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Interaction of scandium and titanium atoms with a carbon surface containing fiveand seven-membered rings

机译：dium和钛原子与含有五元和七元环的碳表面的相互作用

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The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of fiveand seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

机译：使用过渡金属原子涂覆的碳纳米管存储分子氢与这些原子聚集的问题有关，这导致形成金属簇。已经进行了具有scan和钛原子的石墨烯类型的碳表面的簇模型的量子化学模拟。已经表明，在这些结构中，除了六元环之外，还存在五元环和七元环，这可以强有力地抑制金属原子在表面上的迁移过程，从而防止其聚集。

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《Journal of Experimental and Theoretical Physics》 |2012年第1期|共5页
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Krasnov P.O.; Eliseeva N.S.; Kuzubov A.A.;
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正文语种 eng
中图分类理论物理学;
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1. Interaction of scandium and titanium atoms with a carbon surface containing fiveand seven-membered rings [J] . Krasnov P.O., Eliseeva N.S., Kuzubov A.A. Journal of Experimental and Theoretical Physics . 2012,第1期

机译：dium和钛原子与含有五元和七元环的碳表面的相互作用
2. Calculation of the energy of binding of titanium and scandium complexes to the surface of carbon nanotubes [J] . Kuzubov AA, Krasnov PO, Kozhevnikov TA, Russian journal of physical chemistry, B. . 2009,第4期

机译：钛和scan配合物与碳纳米管表面结合能的计算
3. Elementary processes in plasma-surface interaction: H-atom and ion-induced chemisorption of methyl on hydrocarbon film surfaces [J] . Achim von Keudell, Wolfgang Jacob Progress in Surface Science . 2004,第1a2期

机译：等离子体与表面相互作用的基本过程：氢原子和离子诱导的烃膜表面甲基的化学吸附
4. INTERACTION OF CARBON ATOMS WITH NANODIAMOND SURFACE [C] . A. P. Dementjev, K. I. Maslakov, A. V. Naumkin NATO Advanced Research Workshop on Synthesis, Properties and Applications of Ultrananocrystalline Diamond . 2005

机译：碳原子与纳米金刚石表面的相互作用
5. Carbon-carbon bond formation on titanium oxide surfaces: Dependence of activity on titanium oxidation state. [D] . Pierce, Keith Gregory. 1996

机译：钛氧化物表面上的碳-碳键形成：活性对钛氧化态的依赖性。
6. The Configurations (3d + 4s)n 4p in Neutral Atoms of Calcium Scandium and Titanium [O] . C. Roth 1969

机译：钙Scan和钛的中性原子的构型（3d + 4s）n 4p
7. Rh(I)-Catalyzed C-C Bond Activation: Seven-Membered Ring Synthesis by a [6+1] Carbonylative Ring Expansion Reaction of Allenylcyclobutanes ** [O] . Paul A. Wender, Nicole M. Deschamps, Robert Sun 2015

机译：Rh（I） - 催化的C-C键活化：通过[6 + 1]炔基环丁烷的[6 + 1]羰基化环扩展反应合成七元环**
8. XPS Study of the Chemical Interactions of the Extreme Pressure Lubricant AdditiveLead Naphthenate with Titanium and Titanium Compound Surfaces [R] . Didziulis, S. V. 1994

机译：Xps研究极压润滑剂添加剂环己烷与钛和钛化合物表面的化学相互作用

Interaction of scandium and titanium atoms with a carbon surface containing fiveand seven-membered rings

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