Substituting Copper with Silver in the BiMOCh Layered Compounds (M = Cu or Ag; Ch = S, Se, or Te): Crystal, Electronic Structure, and Optoelectronic Properties,Chemistry of Materials

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Substituting Copper with Silver in the BiMOCh Layered Compounds (M = Cu or Ag; Ch = S, Se, or Te): Crystal, Electronic Structure, and Optoelectronic Properties
Chemistry of Materials ( IF 7.2 ) Pub Date : 2018-01-05 00:00:00 , DOI: 10.1021/acs.chemmater.7b04962
J. Gamon _{1,

2} , D. Giaume ₁ , G. Wallez _{1,

3} , J.-B. Labégorre _{2,

4} , O. I. Lebedev ₄ , R. Al Rahal Al Orabi _{5,

6} , S. Haller _{1,

2} , T. Le Mercier ₂ , E. Guilmeau ₄ , A. Maignan ₄ , P. Barboux ₁

Affiliation

The synthesis of BiAgOCh (Ch = S or Se) compounds has been successfully achieved via the ion exchange of copper with silver in aqueous solutions, starting from the copper parent phase. Optical and electrical measurements of BiAgOCh powders confirm an increase in both the bandgap and the electrical resistivity, as compared to those of the copper compounds. The structure of the BiAgOS phase has been clearly examined. X-ray diffraction synchrotron measurements coupled with advanced high-resolution transmission electron microscopy analysis evidenced a Ag-deficient structure, as well as Bi-rich defects, both types of defects being oppositively charged. Silver atoms are also found in interstial sites, which explains the two-dimensional ionic conductivity. This structural study combined with theoretical calculations explains the intrinsic conductivity behavior of these semiconductors linked to the mutual compensation of both defect types in the structure and to the increase in the hole effective mass. This study shows the feasibility of modifying the optoelectronic properties of the BiMOCh compounds, with the goal of integrating them in heterojunction solar cells. Moreover, it provides very precise insight into the complexity of the relationship between structural defects and optoelectronic properties.

中文翻译：

在BiMOCh层状化合物（M = Cu或Ag； Ch = S，Se或Te）中用银取代铜：晶体，电子结构和光电特性

BiAgOCh（Ch = S或Se）化合物的合成已成功地通过从铜母体相开始的水溶液中铜与银的离子交换而实现。与铜化合物相比，BiAgOCh粉末的光学和电学测量证实带隙和电阻率均增加。BiAgOS阶段的结构已得到明确检查。X射线衍射同步加速器测量与先进的高分辨率透射电子显微镜分析相结合，证明了Ag缺陷结构以及Bi富集缺陷，两种类型的缺陷均带正电。在原子间隙中也发现了银原子，这解释了二维离子电导率。这项结构研究与理论计算相结合，解释了这些半导体的固有电导率行为与结构中两种缺陷类型的相互补偿以及空穴有效质量的增加有关。这项研究表明，改变BiMOCh化合物的光电性能的可行性，其目标是将其整合到异质结太阳能电池中。而且，它提供了对结构缺陷与光电特性之间关系的复杂性的非常精确的洞察力。目的是将它们集成到异质结太阳能电池中。而且，它提供了对结构缺陷与光电特性之间关系的复杂性的非常精确的洞察力。目的是将它们集成到异质结太阳能电池中。而且，它提供了对结构缺陷与光电特性之间关系的复杂性的非常精确的洞察力。

更新日期：2018-01-05

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