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Title: Heat-field-stimulated decomposition reaction in Cu 2ZnSnS 4
Authors: Yin, X.
Gong, H. 
Keywords: CZTS
Kinetic analysis
Phase stability
Thermal effects
Issue Date: Nov-2012
Citation: Yin, X., Gong, H. (2012-11). Heat-field-stimulated decomposition reaction in Cu 2ZnSnS 4. Acta Materialia 60 (19) : 6732-6741. ScholarBank@NUS Repository.
Abstract: Thermal stability is essential for the potential solar cell material Cu 2ZnSnS 4 (CZTS) in achieving a satisfactory photovoltaic device performance. Although the loss of Sn from CZTS has been reported, the basic decomposition mechanism of a CZTS system has not been well established yet, especially with regard to the role of active Cu 1+ ions. This paper not only provides a deeper understanding of the change of Sn species, which includes an equimolar-isobaric vaporization mode transition and a solid-vapor phase transition in a self-generated atmosphere, but also reveals the oxidation state alternation (Cu 1+/Cu 2+) and transfer mechanism of Cu species through carefully designed experiments and a reaction kinetic study. Cu ions are unexpectedly found to be active in affecting the degradation reaction by valance alternation and ion movement upon the application of a heat field to balance the derivation caused by a non-uniform temperature gradient. As a result, a Cu-Zn separation appears, with Cu accumulating near the hot area and Zn near the cold area. A decomposition reaction model of CZTS under a directional heat field is proposed to describe the elemental and electronic state change in atomic scale, and a perfect match is obtained between the model and the experimental results. This paper paves a way to solve the thermal stability issue of Cu 2ZnSnS 4. © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Source Title: Acta Materialia
ISSN: 13596454
Appears in Collections:Staff Publications

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