Unveiling Sodium Diffusion Kinetics and Locking Mechanisms for High‐Performance CZTSSe Photovoltaics

Shuyu Li; Chaoran Li; Chu Liu; Jiachen Wu; Letu Siqin; Yuan Li; Guonan Cui; Yanchun Yang; Ruijian Liu; Hongmei Luan; Chengjun Zhu

doi:10.1002/advs.202504087

journal article Open Access May 23, 2025

Unveiling Sodium Diffusion Kinetics and Locking Mechanisms for High‐Performance CZTSSe Photovoltaics

Shuyu Li

Chaoran Li

Chu Liu Jiachen Wu

Letu Siqin Yuan Li

Guonan Cui

Yanchun Yang

Ruijian Liu Hongmei Luan Chengjun Zhu

Advanced Science Vol. 12 No. 30 · Wiley

View at Publisher Save 10.1002/advs.202504087

Abstract

Abstract

This work unveils a diffusion‐kinetic modulation strategy that fundamentally redefines sodium management in kesterite photovoltaics, enabling spatially controlled Na sequestration within Cu
2
ZnSn(S,Se)
4
(CZTSSe) absorber layers through a thermally engineered “Na‐locking” mechanism. By establishing critical correlations between post‐processing thermal protocols and alkali metal migration dynamics, how synchronized extension of sintering duration and rapid cooling termination creates a non‐equilibrium state that traps Na at strategic interfacial positions is demonstrated. This approach leverages Na's dual functionality as a crystallization promoter and defect passivator, driving concurrent improvements in crystallographic coherence and electronic uniformity. The optimized absorber architecture features laterally expanded grains with reduced boundary density and homogenized interfacial charge transport pathways, yielding the highest reported efficiency of 13.22% for Na‐doped CZTSSe solar cells to date, marked by synergistic enhancements in both

V
OC

and
FF
. Crucially, this substrate‐derived Na regulation paradigm outperforms conventional extrinsic doping methods through its self‐limiting diffusion characteristics, ensuring compositional stability while eliminating secondary phase risks. The methodology establishes a universal framework for defect engineering in chalcogenide photovoltaics, bridging fundamental insights into alkali metal diffusion thermodynamics with scalable manufacturing solutions. These findings advance kesterite solar cell technology and offer a blueprint for optimizing thin‐film devices, improving process tolerance and material sustainability.

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Citations

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References

Details

Published: May 23, 2025
Vol/Issue: 12(30)
License: View

Authors

S

Shuyu Li

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

C

Chaoran Li

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

C

Chu Liu

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

J

Jiachen Wu

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

L

Letu Siqin

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

Y

Yuan Li

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

G

Guonan Cui

School of Physics and Electronic Information Inner Mongolia Normal University Hohhot Inner Mongolia 010022 China

Y

Yanchun Yang

School of Physics and Electronic Information Inner Mongolia Normal University Hohhot Inner Mongolia 010022 China

R

Ruijian Liu

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

H

Hongmei Luan

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

C

Chengjun Zhu

Inner Mongolia Key Laboratory of Semiconductor Photovoltaic Technology and Energy Materials Center for Quantum Physics and Technologie School of Physical Science and Technology Inner Mongolia University Hohhot Inner Mongolia 010021 China

Funding

National Natural Science Foundation of China Award: 62064010

Cite This Article

Shuyu Li, Chaoran Li, Chu Liu, et al. (2025). Unveiling Sodium Diffusion Kinetics and Locking Mechanisms for High‐Performance CZTSSe Photovoltaics. Advanced Science, 12(30). https://doi.org/10.1002/advs.202504087

Unveiling Sodium Diffusion Kinetics and Locking Mechanisms for High‐Performance CZTSSe Photovoltaics

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