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3 results for “kesterite”
Dataset for "Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells"
<p>Dataset for "Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells"</p>
How small amounts of Ge modify the formation pathways and crystallization of kesterites
<p>The inclusion of Ge into the synthesis of Cu2ZnSn(S,Se)4 absorbers for kesterite solar cells has been proven to<br> be a very efficient way to boost the device efficiency in a couple of recent publications. This highlights the<br> importance to elucidate the mechanisms by which Ge improves the kesterite solar cells properties to such a<br> large extent. In this contribution, we first show how controlling the position and thickness of a very thin<br> (10–15 nm) layer of Ge greatly influences the crystallization of kesterite thin films prepared in a sequential<br> process. Typically, Cu2ZnSnSe4 (CZTSe) films form in a bi-layer structure with large grains in the upper region<br> and small grains at the back. By introducing Ge nanolayers below our precursors, we observe that large<br> CZTSe grains extending over the whole absorber thickness are formed. Additionally, we observe that Ge<br> induces fundamental changes in the formation mechanism of the kesterite absorber. In a detailed analysis of<br> the phase evolution with and without Ge, we combine the results of X-ray fluorescence, X-ray diffraction<br> and Raman spectroscopy to demonstrate how the Ge influences the preferred reaction scheme during the<br> selenization. We reveal that the presence of Ge causes a large change in the in-depth elemental distribution,<br> induces a stabilizing Cu–Sn intermixing, and thus prevents drastic compositional fluctuations during the<br> annealing process. This finally leads to a change from a tri-molecular towards, mainly, a bi-molecular CZTSe<br> formation mechanism. Kesterite thin films with surprisingly large crystals of several microns in diameter can<br> be fabricated using this approach. The results are related to the increase in device performance, where power<br> conversion efficiencies of up to 11.8% were obtained. Finally, the consequences of the disclosed crystallization<br> pathways and the extension to other chalcogenide technologies are discussed.</p>
Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"
<p>**README**</p> <p>Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"</p> <p>DOI: 10.1021/acsenergylett.7b01313</p> <p><br> * File Tree <br> ---<br> * DFT_CALC // Row input file for DFT calculation (VASP)<br> * XX_DEFECT_CZTS(e) // Data for CZTS (or CZTSe)<br> * XX_PRIM(ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell)<br> * XX_Defect // Data for defect (V_S, Sn_Cu, Sn_Zn, Cu_Sn)<br> * XX_q // SCF calculation with charge state q <br> * fig // data used to draw figures<br> * 00_atomic_structure <br> * 01_charge_transition_level<br> * 02_charge_density<br> * 03_configuration_coordinate<br> * 20_SI_PHASE_DIAGRAM</p>
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