Bimetallic platinum–rhodium nanocomposites for dimethylamine borane dehydrogenation: an experimental and density functional theory study,Catalysis Science & Technology

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Bimetallic platinum–rhodium nanocomposites for dimethylamine borane dehydrogenation: an experimental and density functional theory study
Catalysis Science & Technology ( IF 4.4 ) Pub Date : 2020-06-15 , DOI: 10.1039/d0cy00641f
Oznur Alptekin _{1,

2,

3,

4,

5} , Betul Sen _{3,

4,

6,

7,

8} , Hilal Acidereli _{3,

4,

6,

7,

8} , Umran Ercetin _{1,

2,

3,

4,

5} , Mehmet Ferdi Fellah _{5,

9,

10,

11} , Fatih Sen _{3,

4,

6,

7,

8}

Affiliation

In this study, bimetallic platinum–rhodium nanocomposites supported on graphene oxide (PtRh@GO) were synthesized and used as a catalyst in the dimethylamine borane (DMAB) dehydrogenation. The synthesized PtRh@GO catalyst was characterized using spectral and microscopic methods. The characterization studies revealed that the obtained PtRh@GO nanomaterials were nano-sized and exhibited a monodisperse distribution on GO. As a result of the catalytic studies, it was determined that the dehydrogenation reaction of dimethylamine borane depends on the temperature, amount of catalyst, and substrate. Additionally, some kinetic data and activation parameters were investigated for the dimethylamine dehydrogenation of DMAB with the help of PtRh@GO. The kinetic and activation parameters showed that the PtRh@GO catalyst could be used effectively. The activation energy (E_a) was found to be 17 ± 2 kJ mol⁻¹ for the dimethylamine borane dehydrogenation. Using previously performed studies, comparison studies for the turnover frequency (TOF) value of the PtRh@GO catalyst in the dimethylamine borane reaction showed that the obtained PtRh@GO catalyst could be used effectively with a higher TOF (274.6 h⁻¹) value. In addition, DFT computations were utilized on the structure of PtRh@GO in order to investigate the activity of the catalyst. The experimental data have been supported by the theoretical results based on DFT.

中文翻译：

用于二甲胺硼烷脱氢的双金属铂铑纳米复合材料：实验和密度泛函理论研究

在这项研究中，合成了负载在氧化石墨烯（PtRh @ GO）上的双金属铂-铑纳米复合材料，并将其用作二甲胺硼烷（DMAB）脱氢的催化剂。使用光谱和显微镜方法对合成的PtRh @ GO催化剂进行了表征。表征研究表明，所获得的PtRh @ GO纳米材料为纳米级，并在GO上表现出单分散分布。作为催化研究的结果，已确定二甲胺硼烷的脱氢反应取决于温度，催化剂的量和底物。此外，借助PtRh @ GO研究了一些动力学数据和活化参数，用于DMAB的二甲胺脱氢。动力学和活化参数表明，PtRh @ GO催化剂可以有效利用。对于二甲胺硼烷脱氢，发现E _a）为17±2kJ mol ^-1。使用先前进行的研究，对二甲胺硼烷反应中PtRh @ GO催化剂的周转频率（TOF）值的比较研究表明，所获得的PtRh @ GO催化剂可以有效地使用较高的TOF（274.6 h ^-1）值。此外，对PtRh @ GO的结构进行了DFT计算，以研究催化剂的活性。实验数据得到了基于DFT的理论结果的支持。

更新日期：2020-07-21

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