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首页> 外文期刊>Materials Science and Engineering >Spray pyrolysis synthesis of Cu_xFe_(1-x)S_2 and their structural, electronic and optical properties: Experimental and first-principles study
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Spray pyrolysis synthesis of Cu_xFe_(1-x)S_2 and their structural, electronic and optical properties: Experimental and first-principles study

机译：喷雾热解法制备Cu_xFe_（1-x）S_2及其结构，电子和光学性质：实验和第一性原理研究

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摘要

Iron pyrite, FeS_2 (FS) and the chalcopyrite copper iron sulphide Cu_xFe_(1-x)S_2 (CFS) thin films were synthesized using chemical spray pyrolysis (CSP) deposition technique. The effect of different Cu concentration (1, 3, 5 and 7 at.%) on growth of these films was investigated. The as-synthesized CFS thin films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and ultraviolet-visible (UV-Vis) spectroscopy. The XRD pattern of FS show a structured cubic phase with preferential orientation along (2 0 0) plane, and CFS crystallized in chalcopyrite (tetragonal) with preferential orientations along (1 1 2) plane with crystallite size 142-91 A. Optical absorption data show that the band gap of spray deposited FS and CFS films is 0.920-0.558 eV and the absorption coefficients significantly modified with the increase of Cu concentration from 3.619 x 10s cm~(-1) to 4.231 x 105 cm~(-1). Furthermore, these results have been adopted in accordance with the first principles calculations of electronic structure.
机译：利用化学喷雾热解（CSP）沉积技术合成了黄铁矿，FeS_2（FS）和黄铜矿硫化铜Cu_xFe_（1-x）S_2（CFS）薄膜。研究了不同浓度的铜（1、3、5和7 at。％）对这些膜生长的影响。合成后的CFS薄膜通过X射线衍射（XRD），扫描电子显微镜（SEM）和紫外可见（UV-Vis）光谱进行表征。 FS的XRD图谱显示了结构立方相，其沿（2 0 0）平面优先取向，CFS在黄铜矿（四方晶）中结晶，其沿（1 1 2）平面优先取向，微晶尺寸为142-91A。光吸收数据结果表明，喷雾沉积的FS和CFS薄膜的带隙为0.920-0.558 eV，吸收系数随Cu浓度从3.619 x 10s cm〜（-1）增加到4.231 x 105 cm〜（-1）而显着改变。此外，这些结果已经根据电子结构的第一原理计算被采用。

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  • 来源
    《Materials Science and Engineering》 |2018年第1期|100-109|共10页
  • 作者

    M. Rouchdi; E. Salmani; H. Cherrad; M. Addou; H. Ez-zahraoui; N. Hassanain; A. Mzerd;

  • 作者单位

    Centre de Recherche en Energie, Equipe des semi-conducteurs et technologie des captews d'environnement (STCE), Mohammed V University, Faculty of Sciences, B.P. 1014, Rabat, Morocco;

    Laboratoire de la Matiere Condensee et Sciences Interdisciplinaires (LaMCScI), Faculty of Science, Mohammed V University, B.P. 1014, Rabat, Morocco;

    Laboratoire Optoelectronique et Physico-chimie des Materiaux, Unite de Recherche Associee au Centre National pour la Recherche Scienufique et Technique (CNRST-URAC-14), Unwersili Ibn Tofail, Faculte des Sciences, B.P. 133, Kenitra 14000, Morocco;

    Laboratoire Optoelectronique et Physico-chimie des Materiaux, Unite de Recherche Associee au Centre National pour la Recherche Scienufique et Technique (CNRST-URAC-14), Unwersili Ibn Tofail, Faculte des Sciences, B.P. 133, Kenitra 14000, Morocco,Laboratoire de Materiaux et Valorisations des Ressources Naturelles, University Abdelmalek Essaadi, Faculte des Sciences et Techniques, B.P. 416, Tanger, Morocco;

    Laboratoire de la Matiere Condensee et Sciences Interdisciplinaires (LaMCScI), Faculty of Science, Mohammed V University, B.P. 1014, Rabat, Morocco;

    Centre de Recherche en Energie, Equipe des semi-conducteurs et technologie des captews d'environnement (STCE), Mohammed V University, Faculty of Sciences, B.P. 1014, Rabat, Morocco;

    Centre de Recherche en Energie, Equipe des semi-conducteurs et technologie des captews d'environnement (STCE), Mohammed V University, Faculty of Sciences, B.P. 1014, Rabat, Morocco;

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  • 正文语种 eng
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  • 关键词

    Cu_xFe_(1-x)S_2; Thin films; Spray pyrolysis; Optical properties; First principles calculations;

    机译：Cu_xFe_（1-x）S_2;薄膜;喷雾热解;光学性质;第一性原理计算;

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