Semiconductors & Electronics

Chalcogenide Photovoltaic Absorbers

Copper-based chalcogenide absorbers — CIGS and kesterite CZTS — with tunable direct gaps and proven >23% cell efficiency. Kesterites swap scarce indium for zinc and tin at some voltage penalty.

At a glance

Class Statistics

Compounds Tracked
1,161
Multi-Source DFT
0
With Synthesis Routes
51
Avg. Agreement
0.83 / 1.00
Overview

What are Chalcogenide Photovoltaic Absorbers?

Chalcogenide photovoltaic absorbers represent a sophisticated class of thin-film semiconductor materials characterized by their exceptional light-harvesting capabilities and tunable optoelectronic properties. At their core, these materials are composed of copper-based chalcogenides, most notably Copper Indium Gallium Selenide (CIGS) and the earth-abundant kesterite Copper Zinc Tin Sulfide (CZTS). The chemistry of these materials relies on the precise arrangement of group I, III, and VI elements—or group I, II, IV, and VI in the case of kesterites—within a crystalline lattice that facilitates efficient photon absorption and charge carrier transport. These materials are highly valued in the solar industry because they possess direct bandgaps that can be chemically tuned to match the solar spectrum, allowing for high-performance energy conversion. CIGS has long been the gold standard for thin-film efficiency, demonstrating the ability to rival traditional silicon-based technologies in laboratory settings. Kesterites have emerged as a critical research focus because they utilize more abundant and less expensive elements, such as zinc and tin, to replace the relatively scarce indium and gallium found in CIGS. While kesterites currently face challenges regarding voltage deficits compared to their CIGS counterparts, their potential for low-cost, large-scale manufacturing makes them a vital area of study for sustainable energy. By optimizing the stoichiometry and grain boundary chemistry of these chalcogenide films, researchers continue to push the boundaries of thin-film photovoltaics, aiming to create flexible, lightweight, and highly efficient solar modules that can be integrated into diverse architectural and portable applications. Their structural versatility ensures that they remain at the forefront of next-generation renewable energy technology.

Members

Top Chalcogenide Photovoltaic Absorbers

Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
Cu2Se3Sn0.02–0.09 eV0.0128Near hull (likely stable)—6
ZnCu2SnSe40.03 eV0.0100Stable16
ZnCu2GeSe40.23 eV0.0056Stable16
ZnCu2SnS40.03–0.12 eV0.0059Stable15
InCuS20.01–0.42 eV0.0000Stable14
Cu2S4SnZn0.09 eV0.0000On hull (stable)—5
Cu2SnSe3Metallic / not reported0.0144Stable16
CuInS20.04 eV0.0000On hull (stable)—4
Cu2Se4SnZnMetallic / not reported0.0054Near hull (likely stable)—6
InCuSe20.20 eV0.0000Stable12
Cu2GeSe4ZnMetallic / not reported0.0039Near hull (likely stable)—6
Cu2S4Sn1Zn10.11–0.32 eV—Not assessed—5
Cu4S8Sn2Zn20.17 eV—Not assessed—5
ZnCu2GeS40.33–0.71 eV0.0000Stable12
GaCuS20.18–0.85 eV0.0000Stable12
Cu2S4SnSr0.40 eV0.0076Near hull (likely stable)—3
SrCu2SnS40.59–0.74 eV0.0190Near hull (likely stable)—3
Cu2In2S40.42 eV—Not assessed—4
CuGaS20.18–0.70 eV0.0000On hull (stable)—2
CuIn5S80.16 eV0.0100Near hull (likely stable)—2
Cu2GeS4Zn0.36–0.51 eV0.0000On hull (stable)—2
MgCu2SnS40.26–0.44 eV0.0136Metastable11
EuCu2SnS40.75 eV0.0178Near hull (likely stable)—2
Cu2S3Sn0.03 eV0.0000On hull (stable)—0
Cu2Se4Sn1Zn1Metallic / not reported—Not assessed—6
Cu2Ge1Se4Zn1Metallic / not reported—Not assessed—6
Cu4Se6Sn2Metallic / not reported—Not assessed—6
CuInLa2Se50.51 eV0.0060Near hull (likely stable)—0
CuNa3Se4Sn0.65 eV0.0167Near hull (likely stable)—0
Cu2SnS30.06–0.21 eV0.0182Stable10
Cu16Se24Sn8Metallic / not reported—Not assessed—6
GaCuSe20.09–0.82 eV0.0000Stable10
In5CuSe80.07–0.24 eV0.0000Stable10
Cu6S12Sn3Sr30.53 eV—Not assessed—3
InCuSeS0.03–0.18 eV0.0000Stable10
ZnCu2SnSe3S0.02 eV0.0190Stable10
ZnCu2SiS41.27–1.39 eV0.0000Stable10
BaCu2SnSe40.43–0.63 eV0.0000Stable10
Ga5CuSe80.32 eV0.0000Stable10
In3CuSe50.20 eV0.0098Stable10
ZnCu2SnSeS30.03 eV0.0092Stable10
Cu2SnPbSe40.55–0.67 eV0.0576Unstable10
InCuTeSe0.04–0.16 eV0.0089Stable10
ZnCu2SiSe40.34–0.66 eV0.0000Stable10
Cd2GaCuS40.83 eV0.0183Metastable10
CdCu2SnS40.02–0.21 eV0.0069Stable10
Ce3CuSnS71.91 eV0.0000Stable10
Cr4InCuSe80.49 eV0.0000Unstable10
Cu2SnGeSe40.08–0.24 eV0.0813Metastable10
Cu2SnHgS40.03 eV0.0024Stable10
Reference

Frequently Asked Questions

How many chalcogenide photovoltaic absorbers are in the database?

1,161 chalcogenide photovoltaic absorbers are tracked, of which 0 have multi-source DFT validation and 51 have documented synthesis routes.

More questions
What is the most data-rich chalcogenide photovoltaic absorber?
Cu2Se3Sn is the most thoroughly characterized, with 8 reported structures.
Which chalcogenide photovoltaic absorber has the widest band gap?
Among the top compounds, Ce3CuSnS7 has the widest reported DFT band gap (1.91 eV).
What distinguishes CIGS from kesterite CZTS?
CIGS utilizes indium and gallium, which are rarer elements, to achieve high efficiency, whereas kesterite CZTS replaces these with more abundant and cost-effective zinc and tin.
Why is bandgap tunability important for these materials?
Tunable bandgaps allow researchers to optimize the material to absorb specific portions of the solar spectrum, which maximizes the overall efficiency of the photovoltaic cell.
Are chalcogenide photovoltaics suitable for flexible applications?
Yes, because these materials are deposited as thin films on various substrates, they are inherently more flexible and lightweight than rigid, wafer-based silicon panels.
What is the primary challenge currently facing kesterite solar cells?
The primary challenge is a persistent voltage deficit, which limits the open-circuit voltage and overall power conversion efficiency compared to the more mature CIGS technology.
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