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Electrochemical fabrication of shape-controlled Cu2O with spheres, octahedrons and truncated octahedrons and their electrocatalysis for ORR†
New Journal of Chemistry ( IF 2.7 ) Pub Date : 2017-11-21 00:00:00 , DOI: 10.1039/c7nj04200k Xiaofeng Zhang 1, 2, 3, 4 , Yi Zhang 1, 2, 3, 4 , Huodi Huang 1, 2, 3, 4 , Jiannan Cai 1, 2, 3, 4 , Kaining Ding 4, 5, 6, 7 , Shen Lin 1, 2, 3, 4
New Journal of Chemistry ( IF 2.7 ) Pub Date : 2017-11-21 00:00:00 , DOI: 10.1039/c7nj04200k Xiaofeng Zhang 1, 2, 3, 4 , Yi Zhang 1, 2, 3, 4 , Huodi Huang 1, 2, 3, 4 , Jiannan Cai 1, 2, 3, 4 , Kaining Ding 4, 5, 6, 7 , Shen Lin 1, 2, 3, 4
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Transition metal oxide catalysts have been the focus of recent research for the oxygen reduction reaction (ORR). However, the relationship between morphology and electrocatalysis of metal oxide catalysts has not been well studied or understood hitherto. In the present work, cuprous oxides (Cu2O) with three different morphologies (sphere, octahedron, and truncated octahedron) have been synthesized employing a potentiostatic electrodeposition method. The as-prepared Cu2O has been characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). Three different shapes of Cu2O crystals were used to study the shape-dependent electrocatalytic properties for ORR in alkaline media. It was found that the surface-specific activity of Cu2O with truncated octahedron shape toward ORR was higher than that of Cu2O with a sphere or octahedron morphology. The morphology–activity relationship of Cu2O as a cathode catalyst was further studied through periodic spin density functional theory (DFT) calculations. Comprehensive analysis of electrocatalysis exiperiments and DFT calculations reveals that Cu2O as a truncated octahedron preferentially exposes the (100) crystal planes, which are beneficial to stronger O2 adsorption and easier activation of adsorbed O2 on the surface of Cu2O. This finding furthers our understanding of Cu2O catalysis and provides new light on the relevant catalyst design criteria.
中文翻译：
球形，八面体和截头八面体 形状受控的Cu 2 O的电化学制备及其对ORR的电催化†
过渡金属氧化物催化剂已经成为氧还原反应（ORR）的最新研究的焦点。然而，迄今为止，尚未很好地研究或理解金属氧化物催化剂的形态与电催化之间的关系。在目前的工作中，采用恒电位电沉积法合成了具有三种不同形态（球形，八面体和截头八面体）的氧化亚铜（Cu 2 O）。所制备的Cu 2 O已经通过X射线衍射（XRD），X射线光电子能谱（XPS），扫描电子显微镜（SEM）和透射电子显微镜（TEM）表征。三种不同形状的Cu 2O晶体用于研究碱性介质中ORR的形状依赖性电催化性能。结果发现，Cu的表面比活性2 ö与截顶八面体朝向ORR形状为比Cu高2 ö与球体或八面体形态。通过周期性自旋密度泛函理论（DFT）计算进一步研究了作为阴极催化剂的Cu 2 O的形貌-活性关系。对电催化实验和DFT计算的综合分析表明，作为截短的八面体，Cu 2 O优先暴露（100）晶面，这有利于更强的O 2吸附和更容易的活化被吸附的O 2铜的表面上2 O.这一发现进一步加强了我们的Cu理解2 O催化性能和在相关催化剂的设计标准提供了新的光。
更新日期：2017-11-21
中文翻译：
球形，八面体和截头八面体 形状受控的Cu 2 O的电化学制备及其对ORR的电催化†
过渡金属氧化物催化剂已经成为氧还原反应（ORR）的最新研究的焦点。然而，迄今为止，尚未很好地研究或理解金属氧化物催化剂的形态与电催化之间的关系。在目前的工作中，采用恒电位电沉积法合成了具有三种不同形态（球形，八面体和截头八面体）的氧化亚铜（Cu 2 O）。所制备的Cu 2 O已经通过X射线衍射（XRD），X射线光电子能谱（XPS），扫描电子显微镜（SEM）和透射电子显微镜（TEM）表征。三种不同形状的Cu 2O晶体用于研究碱性介质中ORR的形状依赖性电催化性能。结果发现，Cu的表面比活性2 ö与截顶八面体朝向ORR形状为比Cu高2 ö与球体或八面体形态。通过周期性自旋密度泛函理论（DFT）计算进一步研究了作为阴极催化剂的Cu 2 O的形貌-活性关系。对电催化实验和DFT计算的综合分析表明，作为截短的八面体，Cu 2 O优先暴露（100）晶面，这有利于更强的O 2吸附和更容易的活化被吸附的O 2铜的表面上2 O.这一发现进一步加强了我们的Cu理解2 O催化性能和在相关催化剂的设计标准提供了新的光。
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