Off-stoichiometric CZTS: Neutron scattering investigations on mechanochemically synthesized powders

被引：23
作者：
Ritscher, A. [1 ,2 ]
Franz, A. [2 ]
Schorr, S. [2 ,3 ]
Lerch, M. [1 ]
机构：
[1] Tech Univ Berlin, Inst Chem, Str 17 Juni 135, D-10623 Berlin, Germany
[2] Helmholtz Zentrum Berlin Mat & Energie, Abt Kristallog, Hahn Meitner Pl 1, D-14109 Berlin, Germany
[3] Free Univ Berlin, Inst Geol Wissensch, Malteserstr 74, D-12249 Berlin, Germany
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2016年 / 689卷
关键词：
Semiconductors; Mechanochemical processing; Crystal structure; Point defects; X-ray diffraction; Neutron diffraction; CU2ZNSNS4; SPECTROSCOPY; ABSORBER; DISORDER; DEFECTS; POOR; NMR;
D O I：
10.1016/j.jallcom.2016.07.298
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
In this work a series of B- and C-type off-stoichiometric CZTS samples was prepared by a mechanochemical synthesis route. For structural characterization X-ray diffraction measurements were performed. Furthermore, compositional analyses of the powder samples were carried out by means of wavelength-dispersive X-ray spectroscopy (WDS). For detailed cation distribution analyses of two off-stoichiometric single-phase samples neutron diffraction methods were used. The method of the average neutron scattering length was applied revealing the occurrence of Zn-Cu, Cu-Zn, and Zn-Sn point defects in the Cu-poor/Zn-rich sample (B-type, Cu1.95Zn1.09Sn0.96S4.00), whereas for the Cu-rich/Zn-poor sample (C-type, Cu2.04Zn0.95Sn1.01S4.00) Zn-Cu, Cu-Zn, and Sn-Zn defects are suggested. (C) 2016 Elsevier B.V. All rights reserved.
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页码：271 / 277
页数：7
相关论文
共 24 条
  • [1] Classification of Lattice Defects in the Kesterite Cu2ZnSnS4 and Cu2ZnSnSe4 Earth-Abundant Solar Cell Absorbers
    Chen, Shiyou
    Walsh, Aron
    Gong, Xin-Gao
    Wei, Su-Huai
    [J]. ADVANCED MATERIALS, 2013, 25 (11) : 1522 - 1539
  • [2] Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4
    Chen, Shiyou
    Yang, Ji-Hui
    Gong, X. G.
    Walsh, Aron
    Wei, Su-Huai
    [J]. PHYSICAL REVIEW B, 2010, 81 (24)
  • [3] Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights
    Chen, Shiyou
    Gong, X. G.
    Walsh, Aron
    Wei, Su-Huai
    [J]. APPLIED PHYSICS LETTERS, 2009, 94 (04)
  • [4] Structure Flexibility of the Cu2ZnSnS4 Absorber in Low-Cost Photovoltaic Cells: From the Stoichiometric to the Copper-Poor Compounds
    Choubrac, L.
    Lafond, A.
    Guillot-Deudon, C.
    Moelo, Y.
    Jobic, S.
    [J]. INORGANIC CHEMISTRY, 2012, 51 (06) : 3346 - 3348
  • [5] Multinuclear (67Zn, 119Sn and 65Cu) NMR spectroscopy - an ideal technique to probe the cationic ordering in Cu2ZnSnS4 photovoltaic materials
    Choubrac, Leo
    Paris, Michael
    Lafond, Alain
    Guillot-Deudon, Catherine
    Rocquefelte, Xavier
    Jobic, Stephane
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (26) : 10722 - 10725
  • [6] Gurieva G., 2015, PHYS STATUS SOLIDI C, P1
  • [7] Crystal Structures of Photovoltaic Chalcogenides, an Intricate Puzzle to Solve: the Cases of CIGSe and CZTS Materials
    Lafond, Alain
    Choubrac, Leo
    Guillot-Deudon, Catherine
    Deniard, Philippe
    Jobic, Stephane
    [J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2012, 638 (15): : 2571 - 2577
  • [8] Phase equilibria in the CU2S-ZnS-SnS2 system
    Olekseyuk, ID
    Dudchak, IV
    Piskach, LV
    [J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2004, 368 (1-2) : 135 - 143
  • [9] Solid-State NMR and Raman Spectroscopy To Address the Local Structure of Defects and the Tricky Issue of the Cu/Zn Disorder in Cu-Poor, Zn-Rich CZTS Materials
    Paris, Michael
    Choubrac, Leo
    Lafond, Alain
    Guillot-Deudon, Catherine
    Jobic, Stephane
    [J]. INORGANIC CHEMISTRY, 2014, 53 (16) : 8646 - 8653
  • [10] A PROFILE REFINEMENT METHOD FOR NUCLEAR AND MAGNETIC STRUCTURES
    RIETVELD, HM
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1969, 2 : 65 - &
123