Extended antisite defects in tetrahedrally bonded semiconductors

Zawadzki, Paweł; Zakutayev, Andriy; Lany, Stephan

doi:10.1103/physrevb.92.201204

Cited by 19 publications

(15 citation statements)

References 40 publications

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“…This Cu 2 SnS 3 was chosen for comparison here because it was synthesized in the same chamber under similar conditions as CuSbS 2 and CuSbSe 2 . Given the similar synthesis conditions, this comparison suggests that longer photoexcited carrier lifetime can be achieved in materials with 2D‐like layered crystal structure with some point defects (e.g., V Q in CuSbQ 2 ), compared to 3D‐bonded materials with abundant cation disorder (e.g., composition fluctuations in CTS and Cu 2 ZnSnS 4 (CZTS)). However, much more detailed studies would be needed to further support or rule out this hypothesis.…”

Section: Resultsmentioning

confidence: 99%

“…A similar approach was applied to CuSbSe 2 absorbers in the combinatorial PV device libraries (Figure c), with Mo back electrode, CdS heterojunction partner at i‐ZnO/Al:ZnO front electrode, and Ni/Al contact pad (similar to CIGS) . More details of the CuSbQ 2 (Q = S, Se) and Cu 2 SnS 3 thin film deposition and PV device fabrication were published before, and are available in the Supporting Information.…”

Section: Methodsmentioning

confidence: 99%

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Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Welch

Baranowski

Peng

et al. 2017

Advanced Energy Materials

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Discovery of novel semiconducting materials is needed for solar energy conversion and other optoelectronic applications. However, emerging lowdimensional solar absorbers often have unconventional crystal structures and unusual combinations of optical absorption and electrical transport properties, which considerably slows down the research and development progress. Here, the effect of stronger absorption and weaker carrier collection of 2D-like absorber materials are studied using a high-throughput combinatorial experimental approach, complemented by advanced characterization and computations. It is found that the photoexcited charge carrier collection in CuSbSe 2 solar cells is enhanced by drift in an electric field, addressing a different absorption/collection balance. The resulting drift solar cells efficiency is <5% due to inherent J SC /V OC trade-off, suggesting that improved carrier diffusion and better contacts are needed to further increase the CuSbSe 2 performance. This study also illustrates the advantages of high-throughput experimental methods for fast optimization of the optoelectronic devices based on emerging low-dimensional semiconductor materials.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Welch

Baranowski

Peng

et al. 2017

Advanced Energy Materials

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“…In particular, it is found experimentally that increasing the copper content tends to increase the carrier concentration [18] . Increasing Cu content is believed to promote the formation of free carrier-generating defects such as Cu Zn acceptors [19] or other extended antisites [20] . For these reasons, the electronic properties of AZTSe were examined as a function of metal composition.…”

Section: Resultsmentioning

confidence: 99%

Photovoltaic Device with over 5% Efficiency Based on an n‐Type Ag₂ZnSnSe₄ Absorber

Gershon

Sardashti

Gunawan

et al. 2016

Advanced Energy Materials

110

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The kesterite material Cu 2 ZnSn(S,Se) 4 (CZTSSe) is an attractive earth-abundant semiconductor for photovoltaics. However, the power conversion efficiency is limited by a large density of I-II antisite defects, which cause severe band tailing and open-circuit voltage loss. Ag 2 ZnSnSe 4 (AZTSe) is a promising alternative to CZTSSe with a substantially lower I-II antisite defect density and smaller band tailing. AZTSe is weakly n-type, and this study reports for the first time on how the carrier density is impacted by stoichiometry. This study presents the first-ever photovoltaic device based on AZTSe, which exhibits an efficiency of 5.2%, which is the highest value reported for an n-type thin-film absorber. Due to the weakly n-type nature of the absorber, a new architecture is employed (SnO:F/AZTSe/MoO 3 /ITO) to replace conventional contacts and buffer materials. Using this platform, it is shown that the band tailing parameter in AZTSe more closely resembles that of CIGSe than CZTSSe, underscoring the strong promise of this absorber. In demonstrating the ability to collect photo-generated carriers from AZTSe, this study paves the way for novel thin-film heterojunction This article is protected by copyright. All rights reserved. architectures where light absorption in the n-type device layer can supplement absorption in the ptype layer as opposed to producing a net optical loss.

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“…Studies on various multinary semiconductors have indicated that it is not sufficient to consider only point defects to understand the defect physics of this type of compound due to the likely presence of structural disorder and extended antisite defects 15,35 . System sizes that avoid artificial periodic disorder and associated finite-size effects would be beyond computationally feasible limits for density functional theory (DFT) or other first-principles calculations.…”

Section: Introductionmentioning

confidence: 99%

Atomistic insights into the order–disorder transition in Cu₂ZnSnS₄ solar cells from Monte Carlo simulations

2019

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Extended antisite defects in tetrahedrally bonded semiconductors

Cited by 19 publications

References 40 publications

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Photovoltaic Device with over 5% Efficiency Based on an n‐Type Ag₂ZnSnSe₄ Absorber

Atomistic insights into the order–disorder transition in Cu₂ZnSnS₄ solar cells from Monte Carlo simulations

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Extended antisite defects in tetrahedrally bonded semiconductors

Cited by 19 publications

References 40 publications

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

Photovoltaic Device with over 5% Efficiency Based on an n‐Type Ag2ZnSnSe4 Absorber

Atomistic insights into the order–disorder transition in Cu2ZnSnS4 solar cells from Monte Carlo simulations

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Product

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Photovoltaic Device with over 5% Efficiency Based on an n‐Type Ag₂ZnSnSe₄ Absorber

Atomistic insights into the order–disorder transition in Cu₂ZnSnS₄ solar cells from Monte Carlo simulations