Rationally designed CuSb1-                             xBixS2 as a promising photovoltaic material: Theoretical and experimental study

Bo In Park; Minyeong Je; Jihun Oh; Heechae Choi; Seung Yong Lee

doi:10.1016/j.scriptamat.2020.01.008

Rationally designed CuSb_1- _xBi_xS₂ as a promising photovoltaic material: Theoretical and experimental study

Bo In Park, Minyeong Je, Jihun Oh^*, Heechae Choi, Seung Yong Lee

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Here we report the miscibility gap of CuSb_1- _xBi_xS₂ (CABS), a promising photo energy conversion material for band gap engineered solar cells, and evaluate its applicability via a combination of theoretical predictions and experimental verifications. Our ab initio calculations and thermodynamic modeling revealed that the CABS random alloy system has optimal band gap values in the range of 1.1–1.5 eV when synthesized at room temperature. The CABS system, synthesized by mechanochemical methods, exhibited optical band gap values in very good agreement with theoretical predictions, as well as lowered kinetic energy barriers for enhanced nucleation.

Original language	English
Pages (from-to)	107-112
Number of pages	6
Journal	Scripta Materialia
Volume	179
DOIs	https://doi.org/10.1016/j.scriptamat.2020.01.008
Publication status	Published - 1 Apr 2020
Externally published	Yes

Keywords

Chalcogenide
I–V–VI
Mechanochemical method
Photovoltaic materials
Solar cells

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1016/j.scriptamat.2020.01.008

Cite this

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title = "Rationally designed CuSb1- xBixS2 as a promising photovoltaic material: Theoretical and experimental study",

abstract = "Here we report the miscibility gap of CuSb1- xBixS2 (CABS), a promising photo energy conversion material for band gap engineered solar cells, and evaluate its applicability via a combination of theoretical predictions and experimental verifications. Our ab initio calculations and thermodynamic modeling revealed that the CABS random alloy system has optimal band gap values in the range of 1.1–1.5 eV when synthesized at room temperature. The CABS system, synthesized by mechanochemical methods, exhibited optical band gap values in very good agreement with theoretical predictions, as well as lowered kinetic energy barriers for enhanced nucleation.",

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AU - Je, Minyeong

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AU - Choi, Heechae

AU - Lee, Seung Yong

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AB - Here we report the miscibility gap of CuSb1- xBixS2 (CABS), a promising photo energy conversion material for band gap engineered solar cells, and evaluate its applicability via a combination of theoretical predictions and experimental verifications. Our ab initio calculations and thermodynamic modeling revealed that the CABS random alloy system has optimal band gap values in the range of 1.1–1.5 eV when synthesized at room temperature. The CABS system, synthesized by mechanochemical methods, exhibited optical band gap values in very good agreement with theoretical predictions, as well as lowered kinetic energy barriers for enhanced nucleation.

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