Exploration of structural and optoelectronic behaviour of mechanochemically synthesized earth-abundant phase pure Cu2FeSnSe4

IF 5.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Materials Research Bulletin Pub Date : 2025-09-01 Epub Date: 2025-04-06 DOI:10.1016/j.materresbull.2025.113477

Immanuel A․ , Angel Agnes J․ , Devika Rajan Sajitha , Kamalan Kirubaharan A․M․ , Chandramohan Govindasamy , Khalid M. Almutairi , Beauno S․ , Shyju Thankaraj Salammal

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Abstract

A solvent-free mechanochemical method has been employed to synthesize the eco-friendly photo absorber Cu₂FeSnSe₄ (CFTSe) semiconductor using earth-abundant materials. A single-phase quaternary chalcogenide CFTSe was achieved during continuous milling, confirmed by powder X-ray diffraction along with Rietveld refinement and Raman analysis. The material, crystallized in a tetragonal structure (a = b = 5.68, c = 11.35 Å), was verified through sharp diffraction peaks and high-resolution transmission electron microscopy, which indicated (112) orientation with d = 3.2 Å. FESEM and EDS showed particles close to uniform size and stoichiometric composition. Optical properties were analyzed via UV–Vis spectroscopy, revealing an absorption coefficient of ∼10⁴ cm^-1 and a band gap of 1.1 eV. XPS analysis identified various valence states, while Hall measurements confirmed the p-type nature with a carrier concentration of 3.29 × 10¹⁹ cm^-3 and a mobility of 16.8 cm² V^-1 s^-1. The material demonstrated thermal stability up to 520 °C, making it suitable for photovoltaic and semiconductor applications.

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机械化学合成富土相纯Cu2FeSnSe4的结构与光电性能探索

本研究采用无溶剂机械化学方法，利用丰富的地球材料合成了环保型光吸收剂 Cu2FeSnSe4（CFTSe）半导体。通过粉末 X 射线衍射、里特维尔德精炼和拉曼分析证实，在连续研磨过程中获得了单相四元共卤化物 CFTSe。通过尖锐的衍射峰和高分辨率透射电子显微镜（显示 (112) 取向，d = 3.2 Å），验证了该材料结晶为四方结构（a = b = 5.68，c = 11.35 Å）。通过紫外可见光谱分析了其光学特性，发现其吸收系数为 ∼104 cm-1，带隙为 1.1 eV。XPS 分析确定了各种价态，而霍尔测量则证实了其 p 型性质，载流子浓度为 3.29 × 1019 cm-3，迁移率为 16.8 cm2 V-1 s-1。该材料具有高达 520 °C 的热稳定性，因此适用于光伏和半导体应用。

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来源期刊

Materials Research Bulletin 工程技术-材料科学：综合

CiteScore

9.80

自引率

5.60%

发文量

372

审稿时长

42 days

期刊介绍： Materials Research Bulletin is an international journal reporting high-impact research on processing-structure-property relationships in functional materials and nanomaterials with interesting electronic, magnetic, optical, thermal, mechanical or catalytic properties. Papers purely on thermodynamics or theoretical calculations (e.g., density functional theory) do not fall within the scope of the journal unless they also demonstrate a clear link to physical properties. Topics covered include functional materials (e.g., dielectrics, pyroelectrics, piezoelectrics, ferroelectrics, relaxors, thermoelectrics, etc.); electrochemistry and solid-state ionics (e.g., photovoltaics, batteries, sensors, and fuel cells); nanomaterials, graphene, and nanocomposites; luminescence and photocatalysis; crystal-structure and defect-structure analysis; novel electronics; non-crystalline solids; flexible electronics; protein-material interactions; and polymeric ion-exchange membranes.