Abstract
Cu2SnS3 is a potential earth-abundant solar material, but its efficiency can differ by orders due to varied growth conditions. A thorough theoretical understanding is necessary. For this purpose, a comprehensive thermodynamic model of the Cu-Sn-S system is constructed under the CALculation of PHAse Diagram (CALPHAD) framework, with the Gibbs energies of solid phases calculated using the first-principles phonon method. Good agreements are achieved with extensive experimental data collected systematically, demonstrating high reliability of the model. Then the optimal growth conditions of Cu2SnS3 are studied. We systematically inspect the impacts of Cu/Sn ratio, sulfur content, pressure and temperature, and give reasonable explanations to several experimental observations which are not fully understood before. We find that sufficient sulfur penetration throughout the precursor before annealing is important to obtain desirable morphology and good performance. Combined with kinetic considerations, a detailed synthesis pathway is proposed, with crucial differences compared to a similar one in the literature. The reaction sequence along the pathway is elucidated. The model can also provide guidance to synthesis of the other materials in the Cu-Sn-S system.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 745-757 |
| Number of pages | 13 |
| Journal | Solar Energy |
| Volume | 155 |
| DOIs | |
| State | Published - Jan 1 2017 |
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All Science Journal Classification (ASJC) codes
- Renewable Energy, Sustainability and the Environment
- Materials Science(all)
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Phase stability of the Cu-Sn-S system and optimal growth conditions for earth-abundant Cu2SnS3 solar materials. / Guan, Pin Wen; Shang, Shun Li; Lindwall, Greta; Anderson, Tim; Liu, Zi Kui.
In: Solar Energy, Vol. 155, 01.01.2017, p. 745-757.Research output: Contribution to journal › Article
TY - JOUR
T1 - Phase stability of the Cu-Sn-S system and optimal growth conditions for earth-abundant Cu2SnS3 solar materials
AU - Guan, Pin Wen
AU - Shang, Shun Li
AU - Lindwall, Greta
AU - Anderson, Tim
AU - Liu, Zi Kui
PY - 2017/1/1
Y1 - 2017/1/1
N2 - Cu2SnS3 is a potential earth-abundant solar material, but its efficiency can differ by orders due to varied growth conditions. A thorough theoretical understanding is necessary. For this purpose, a comprehensive thermodynamic model of the Cu-Sn-S system is constructed under the CALculation of PHAse Diagram (CALPHAD) framework, with the Gibbs energies of solid phases calculated using the first-principles phonon method. Good agreements are achieved with extensive experimental data collected systematically, demonstrating high reliability of the model. Then the optimal growth conditions of Cu2SnS3 are studied. We systematically inspect the impacts of Cu/Sn ratio, sulfur content, pressure and temperature, and give reasonable explanations to several experimental observations which are not fully understood before. We find that sufficient sulfur penetration throughout the precursor before annealing is important to obtain desirable morphology and good performance. Combined with kinetic considerations, a detailed synthesis pathway is proposed, with crucial differences compared to a similar one in the literature. The reaction sequence along the pathway is elucidated. The model can also provide guidance to synthesis of the other materials in the Cu-Sn-S system.
AB - Cu2SnS3 is a potential earth-abundant solar material, but its efficiency can differ by orders due to varied growth conditions. A thorough theoretical understanding is necessary. For this purpose, a comprehensive thermodynamic model of the Cu-Sn-S system is constructed under the CALculation of PHAse Diagram (CALPHAD) framework, with the Gibbs energies of solid phases calculated using the first-principles phonon method. Good agreements are achieved with extensive experimental data collected systematically, demonstrating high reliability of the model. Then the optimal growth conditions of Cu2SnS3 are studied. We systematically inspect the impacts of Cu/Sn ratio, sulfur content, pressure and temperature, and give reasonable explanations to several experimental observations which are not fully understood before. We find that sufficient sulfur penetration throughout the precursor before annealing is important to obtain desirable morphology and good performance. Combined with kinetic considerations, a detailed synthesis pathway is proposed, with crucial differences compared to a similar one in the literature. The reaction sequence along the pathway is elucidated. The model can also provide guidance to synthesis of the other materials in the Cu-Sn-S system.
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U2 - 10.1016/j.solener.2017.07.017
DO - 10.1016/j.solener.2017.07.017
M3 - Article
AN - SCOPUS:85023646877
VL - 155
SP - 745
EP - 757
JO - Solar Energy
JF - Solar Energy
SN - 0038-092X
ER -