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首页> 外文期刊>Catalysis science & technology >Different catalytic behaviors of Pd and Pt metals in decalin dehydrogenation to naphthalene
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Different catalytic behaviors of Pd and Pt metals in decalin dehydrogenation to naphthalene

机译：不同的Pd和Pt金属催化行为萘萘烷脱氢

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摘要

The catalytic dehydrogenation from decalin to tetralin to naphthalene is usually performed over supported Pd or Pt catalysts at a high temperature due to the endothermic nature of the reaction. However, the mechanistic studies of the catalytic activity and selectivity are not still sufficient to understand the dehydrogenation reaction on these metal surfaces. In this study, we mechanistically investigated the dehydrogenation reaction of decalin to tetralin to naphthalene on Pd and Pt catalysts using density functional theory (DFT) calculations combined with experimental validation. We firstly explored the relative energy profile of the entire elementary steps of the dehydrogenation reaction. Our theoretical results demonstrate that the conversion of decalin to tetralin on the Pt catalyst is energetically more preferred to that on Pd. On the other hand, Pd exhibits an energetically more favored reaction pathway in the conversion of tetralin to naphthalene than Pt. It is found that the difference in the catalytic activity and selectivity between Pd and Pt originates from the different structural and chemical characteristics of the metals. Our experimental results also support that decalin is more easily dehydrogenated over Pt/C while the dehydrogenation of tetralin is more facile over Pd/C.
机译：从十氢化萘催化脱氢萘萘满通常是执行结束支持Pd或Pt催化剂在高温度由于吸热的性质的反应。催化活性和选择性能充分理解脱氢在这些金属表面反应。从力学上看我们调查脱氢反应十氢化萘萘满萘在Pd和Pt催化剂使用密度泛函理论(DFT)计算结合实验验证。探讨了相对能量的整个脱氢的基本步骤的反应。这十氢化萘萘满上的转换Pt大力更倾向于催化剂Pd。大力更有利的反应途径对萘萘满的转换Pt。它是发现的差异Pd和之间的催化活性和选择性Pt源于不同的结构和金属的化学性质。实验结果也支持这十氢化萘更容易在Pt / C而种脱氢萘满更加简单Pd / C。

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