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A Combined Theoretical and Experimental Study of the Adsorption of Rh(CO) _2(acac) on TiO_2(110)

机译:TiO_2(110)rH(CO)_2(ACAC)吸附的综合理论与实验研究(110)

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Organometallic precursors have been recently used to create supported metallic cluster catalysts with unique reactivity. Gates and co-workers have shown that precursors such as Rh(CO)_2(acac) can be decarbonylated by heating in helium (or H_2), and intact metal cluster catalysts can be created on a variety of supports[l]. Although there is significant evidence that hydroxyl groups play an important role in the synthesis and activation of these clusters, the precise interaction of these precursors with supports is currently still largely unknown. In this combined DFT and STM study, we examine the adsorption of Rh(CO)_2(acac) on a TiO_2(110) single crystal substrate in an effort to understand the synthesis of small Rh clusters.
机译:最近已经使用有机金属前体,以产生具有独特反应性的支持金属簇催化剂。栅极和同工表明,通过在氦(或H_2)中加热,可以在各种载体上产生完整的金属簇催化剂,例如RH(CO)_2(ACAC)如RH(CO)_2(ACAC),并且可以在各种载体上产生完整的金属簇催化剂。尽管存在显着的证据表明羟基在这些簇的合成和激活中发挥着重要作用,但这些前体与支撑件的精确相互作用目前仍然很大程度上是未知的。在这种组合的DFT和STM研究中,我们在努力理解小RH簇的合成中,检查RH(CO)_2(ACAC)对TiO_2(110)单晶基板的吸附。

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