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Effect of Cu Preferential Orientation on the Microstructure and Properties of Anodized CuxO Films
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2020-01-08 , DOI: 10.1002/ejic.201901084 Zhaoqing Gao 1 , Jinwei Cao 1 , Chen Wang 1 , Yinbo Chen 2, 3 , Hussain Muhammad Muzammal 1 , Weiqiang Wang 1 , Hao Sun 1 , Haitao Ma 1 , Yunpeng Wang 1
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2020-01-08 , DOI: 10.1002/ejic.201901084 Zhaoqing Gao 1 , Jinwei Cao 1 , Chen Wang 1 , Yinbo Chen 2, 3 , Hussain Muhammad Muzammal 1 , Weiqiang Wang 1 , Hao Sun 1 , Haitao Ma 1 , Yunpeng Wang 1
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In this paper, in order to explore the effect of the preferential orientation of Cu on the preparation of robust anodized Cu2O films, three types of Cu substrates with three different preferential crystal plane orientation [(111), (200), (220)] are employed. First‐Principles calculation is employed to calculate the surface energy of different Cu crystalline planes by the software of DACAPO, which is conducted by the plane‐wave pseudo‐potential method. The influence of the preferential plane orientation of Cu on the anodized oxidation reaction process and the morphology of anodized CuxO films has been discussed in detail. The results indicate that the morphology of anodized CuxO films depends on the preferential exposing plane orientation of Cu substrates under the same anodized oxidation condition. The high surface energy of Cu makes Cu atoms release more easily from lattices, leading to more different active‐reaction sites.
中文翻译：
Cu优先取向对阳极氧化CuxO薄膜微观结构和性能的影响
为了探究铜优先取向对制备坚固的阳极氧化Cu 2 O膜的影响，本文提出了三种具有三种不同优先晶面取向的Cu衬底[（111），（200），（220） ）]被雇用。第一性原理计算是通过DACAPO软件通过平面波伪势法进行的，计算出不同Cu晶面的表面能。详细讨论了Cu优先平面取向对阳极氧化反应过程和阳极氧化Cu x O薄膜形貌的影响。结果表明，阳极氧化的Cu x的形态O膜取决于在相同的阳极氧化条件下Cu衬底的优先暴露面取向。铜的高表面能使铜原子更容易从晶格中释放出来，从而导致更多不同的活性反应位点。
更新日期：2020-01-08
中文翻译：
Cu优先取向对阳极氧化CuxO薄膜微观结构和性能的影响
为了探究铜优先取向对制备坚固的阳极氧化Cu 2 O膜的影响，本文提出了三种具有三种不同优先晶面取向的Cu衬底[（111），（200），（220） ）]被雇用。第一性原理计算是通过DACAPO软件通过平面波伪势法进行的，计算出不同Cu晶面的表面能。详细讨论了Cu优先平面取向对阳极氧化反应过程和阳极氧化Cu x O薄膜形貌的影响。结果表明，阳极氧化的Cu x的形态O膜取决于在相同的阳极氧化条件下Cu衬底的优先暴露面取向。铜的高表面能使铜原子更容易从晶格中释放出来，从而导致更多不同的活性反应位点。
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