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
771
Multi-Source DFT
32
With Synthesis Routes
2
Avg. Agreement
0.80 / 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
Cu2SnSe30.02–0.09 eV0.0128Near hull (likely stable)21
Cu2S3Sn0.03 eV0.0000On hull (stable)20
Cu2SnS30.03 eV0.0000On hull (stable)20
Cu2Ga2Se40.04 eV0.0000On hull (stable)20
Cu4Se6Sn20.02–0.09 eV0.0128Near hull (likely stable)20
Cu2Se3Sn0.02–0.09 eV0.0128Near hull (likely stable)10
Cu4S6Sn20.03 eV0.0000On hull (stable)20
InCuS20.04 eV0.0000On hull (stable)20
CuInLa2Se50.56 eV0.0060Near hull (likely stable)10
CuNa3Se4Sn1.14 eV0.0167Near hull (likely stable)10
GaCuSe20.04 eV0.0000On hull (stable)20
Cu6S12Sn3Sr30.40 eV0.0076Near hull (likely stable)20
Ga5CuSe80.39 eV0.0018Near hull (likely stable)20
In3CuSe50.23 eV0.0017Near hull (likely stable)20
In5CuS80.29 eV0.0100Near hull (likely stable)20
In5CuSe80.45 eV0.0000On hull (stable)20
ZnCu2SnSeS30.03 eV0.0096Near hull (likely stable)20
Ba2Cu4Se8Sn20.45 eV0.0000On hull (stable)20
Cu4In12K8Se241.20 eV0.0000On hull (stable)20
Cu1Ga1Se20.04 eV0.0000On hull (stable)10
Cu16Se24Sn80.02–0.09 eV0.0128Near hull (likely stable)10
Cu2Ga2S40.18–0.71 eV0.0000On hull (stable)10
Cu2In2S40.04 eV0.0000On hull (stable)10
Cu8S12Sn40.03 eV0.0000On hull (stable)10
CuInS20.04 eV0.0000On hull (stable)10
Cu2S4Sn1Zn10.09 eV0.0000On hull (stable)10
ZnCu2GeS40.37–0.51 eV0.0000On hull (stable)10
ZnCu2SnS40.09 eV0.0000On hull (stable)10
Cu2Ge1S4Zn10.37–0.51 eV0.0000On hull (stable)10
Cu4Ge2S8Zn20.37–0.51 eV0.0000On hull (stable)10
Cu4In4S80.04 eV0.0000On hull (stable)10
Cu4S8Si2Zn21.28–1.61 eV0.0000On hull (stable)10
Cu4Se8Si2Zn20.40–0.55 eV0.0000On hull (stable)10
Cu54In54S1080.04 eV0.0000On hull (stable)10
ZnCu2SiS41.28–1.61 eV0.0000On hull (stable)10
ZnCu2SiSe40.40–0.55 eV0.0000On hull (stable)10
Al2Cu2Se8Sn20.55 eV0.0000On hull (stable)10
Cu4Ga4Se80.04 eV0.0000On hull (stable)10
Cu4S8Sn2Zn20.09 eV0.0000On hull (stable)10
FeCu2Sn3S80.65 eV0.0125Near hull (likely stable)10
GaCuS20.18–0.71 eV0.0000On hull (stable)10
Zn2GaCuSe40.45 eV0.0042Near hull (likely stable)10
Cu2Dy6S14Sn21.49 eV0.0092Near hull (likely stable)10
Cu2In2Se8Sn20.36 eV0.0052Near hull (likely stable)10
Cu2La6S14Sn21.87 eV0.0000On hull (stable)10
Cu2Nd6S14Sn21.76 eV0.0000On hull (stable)10
Cu2Pr6S14Sn21.78 eV0.0000On hull (stable)10
Cu2S14Sn2Y61.49 eV0.0134Near hull (likely stable)10
Cu2S4SnTl20.22 eV0.0283Metastable10
Cu3In3Se8Si0.63 eV0.0138Near hull (likely stable)10
Reference

Frequently Asked Questions

How many chalcogenide photovoltaic absorbers are in the database?

771 chalcogenide photovoltaic absorbers are tracked, of which 32 have multi-source DFT validation and 2 have documented synthesis routes.

More questions
What is the most data-rich chalcogenide photovoltaic absorber?
Cu2SnSe3 is the most thoroughly characterized, with 19 reported structures.
Which chalcogenide photovoltaic absorber has the widest band gap?
Among the top compounds, Cu2La6S14Sn2 has the widest reported DFT band gap (1.87 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.
Explore

Related Material Classes

Screen chalcogenide photovoltaic absorbers computationally

Evaluate stability, supply-chain risk, and patent whitespace before committing lab resources.

Explore the Platform →