Interplay of Polymorphism in FeS2 Thin Films by Phosphorus Doping

IF 5.5 3区材料科学 Q2 CHEMISTRY, PHYSICAL

ACS Applied Energy Materials Pub Date : 2025-09-01 DOI:10.1021/acsaem.5c01890

Dipta Suryya Mahanta, , , Rudra Narayan Chakraborty, , , Sethuraman Divagar, , , Rajalingam Thangavel, , and , Kasilingam Senthilkumar*,

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Abstract

Achieving p-type pyrite FeS₂ is essential for its effective use in thin film photovoltaics. Phosphorus (P) is emerging as a prominent anionic dopant in pyrite to induce p-type electrical conductivity. This study investigates the impact of P doping on the structural and electrical characteristics of pyrite thin films. Films are fabricated using DC magnetron sputtering, initially yielding sulfur (S)-poor FeS_2–x phase. Annealing in S atmosphere yields phase-pure pyrite, while coannealing with higher P introduces mixed pyrite-marcasite phase p-type conductivity. An Increasing of band gap from 1.08 to 1.43 eV is also observed, with high hole mobility of 150.62 cm² V^–1 s^–1. P integration in FeS₂ is confirmed by X-ray photoelectron spectroscopy (XPS) via P–S and Fe–P binding energies. The mixed pyrite-marcasite phase is confirmed by Raman results. This mixed phase p-type FeS₂ can help increase the photovoltaic performance. However, it also shows excessive doping causing nonuniformity and contact behavior.

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磷掺杂对FeS2薄膜多态性的影响

获得p型黄铁矿FeS2对于其在薄膜光伏电池中的有效应用至关重要。在黄铁矿中，磷(P)作为一种重要的阴离子掺杂剂，可以诱导P型导电性。本文研究了P掺杂对黄铁矿薄膜结构和电学特性的影响。薄膜是用直流磁控溅射制备的，最初产生硫(S)贫乏的FeS2-x相。在S气氛下退火产生相纯的黄铁矿，而在高P气氛下共退火产生混合的黄铁矿-马氏体相P型电导率。带隙从1.08 eV增加到1.43 eV，空穴迁移率高达150.62 cm2 V-1 s-1。x射线光电子能谱（XPS）通过P - s和Fe-P结合能证实了FeS2中P的积分。拉曼结果证实了黄铁矿-马氏体混合相的存在。这种混合相p型FeS2有助于提高光伏性能。然而，过量的掺杂也会导致不均匀性和接触行为。

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来源期刊

ACS Applied Energy Materials Materials Science-Materials Chemistry

CiteScore

10.30

自引率

6.20%

发文量

1368

期刊介绍： ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.