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首页> 外文期刊>RSC Advances >Synthesis of multifunctional CuFe2O4–reduced graphene oxide nanocomposite: an efficient magnetically separable catalyst as well as high performance supercapacitor and first-principles calculations of its electronic structures
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Synthesis of multifunctional CuFe2O4–reduced graphene oxide nanocomposite: an efficient magnetically separable catalyst as well as high performance supercapacitor and first-principles calculations of its electronic structures

机译：多功能CuFe2O4还原的氧化石墨烯纳米复合材料的合成：一种有效的磁可分离催化剂以及高性能超级电容器及其电子结构的第一性原理计算

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Here, we report an ‘ in situ ’ co-precipitation reduction based synthetic methodology to prepare CuFe _(2) O _(4) nanoparticle–reduced graphene oxide (CuFe _(2) O _(4) –RGO) nanocomposites. First principles calculations based on Density Functional Theory (DFT) were performed to obtain the electronic structures and properties of CuFe _(2) O _(4) , graphene and CuFe _(2) O _(4) –graphene composites, and to understand the interfacial interaction between CuFe _(2) O _(4) and graphene in the composite. The synergistic effect, which resulted from the combination of the unique properties of RGO and CuFe _(2) O _(4) nanoparticles, was exploited to design a magnetically separable catalyst and high performance supercapacitor. It has been demonstrated that the incorporation of RGO in the composite enhanced its catalytic properties as well as supercapacitance performance compared with pure CuFe _(2) O _(4) . The nanocomposite with 96 wt% CuFe _(2) O _(4) and 4 wt% RGO (96CuFe _(2) O _(4) –4RGO) exhibited high catalytic efficiency towards (i) reduction of 4-nitrophenol to 4-aminophenol, and (ii) epoxidation of styrene to styrene oxide. For both of these reactions, the catalytic efficiency of 96CuFe _(2) O _(4) –4RGO was significantly higher than that of pure CuFe _(2) O _(4) . The easy magnetic separation of 96CuFe _(2) O _(4) –4RGO from the reaction mixture and good reusability of the recovered catalyst also showed here. 96CuFe _(2) O _(4) –4RGO also demonstrated better supercapacitance performance than pure CuFe _(2) O _(4) . 96CuFe _(2) O _(4) –4RGO showed specific capacitance of 797 F g ~(?1) at a current density of 2 A g ~(?1) , along with ～92% retention for up to 2000 cycles. To the best of our knowledge, this is the first investigation on the catalytic properties of CuFe _(2) O _(4) –RGO towards the reduction of 4-nitrophenol and the epoxidation reaction, and DFT calculations on the CuFe _(2) O _(4) –graphene composite have been reported.
机译：在这里，我们报告了一种基于“原位”共沉淀还原的合成方法，以制备CuFe _（2）O _（4）纳米粒子还原的氧化石墨烯（CuFe _（2）O _（4）–RGO）纳米复合材料。进行基于密度泛函理论（DFT）的第一性原理计算，以获得CuFe _（2）O _（4），石墨烯和CuFe _（2）O _（4）–石墨烯复合材料的电子结构和性能，以及了解CuFe _（2）O _（4）与石墨烯在复合材料中的界面相互作用。 RGO和CuFe _（2）O _（4）纳米粒子的独特性能相结合而产生的协同效应被用来设计可磁分离的催化剂和高性能超级电容器。已经证明，与纯CuFe _（2）O _（4）相比，将RGO掺入复合材料可增强其催化性能以及超电容性能。具有96 wt％CuFe _（2）O _（4）和4 wt％RGO（96CuFe _（2）O _（4）–4RGO）的纳米复合材料对（i）将4-硝基苯酚还原为4表现出高催化效率。 -氨基苯酚，和（ii）将苯乙烯环氧化为氧化苯乙烯。对于这两个反应，96CuFe _（2）O _（4）–4RGO的催化效率均显着高于纯CuFe _（2）O _（4）的催化效率。从反应混合物中容易分离出96CuFe _（2）O _（4）–4RGO的磁性，并且回收的催化剂具有良好的可重复使用性。 96CuFe _（2）O _（4）–4RGO还表现出比纯CuFe _（2）O _（4）更好的超级电容性能。 96CuFe _（2）O _（4）–4RGO在2 A g〜（？1）的电流密度下显示出797 F g〜（？1）的比电容，在2000个周期内保持〜92％的保留率。据我们所知，这是首次研究CuFe _（2）O _（4）–RGO对4-硝基苯酚的还原和环氧化反应的催化性能，以及对CuFe _（2）的DFT计算。 ）O _（4）–石墨烯复合材料的报道。

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