Standard enthalpy of formation kesterite Cu2ZnSnS4

Polarized Raman scattering study of kesterite type Cu2ZnSnS4 single crystals

A non-destructive Raman spectroscopy has been widely used as a complimentary method to X-ray diffraction characterization of Cu2ZnSnS4 (CZTS) thin films, yet our knowledge of the Raman active fundamental modes in this material is far from complete. Focusing on polarized Raman spectroscopy provides important information about the relationship between Raman modes and CZTS crystal structure. In th...

Prediction of Standard Enthalpy of Formation by a QSPR Model

The standard enthalpy of formation of 1115 compounds from all chemical groups, were predicted using genetic algorithm-based multivariate linear regression (GAMLR). The obtained multivariate linear five descriptors model by GA-MLR has correlation coefficient ( 9830 . 0 2 = R ). All molecular descriptors which have entered in this model are calculated from chemical structure of any molecule. As a...

One-step synthesis of high quality kesterite Cu2ZnSnS4 nanocrystals – a hydrothermal approach

The present work demonstrates a systematic approach for the synthesis of pure kesterite-phase Cu2ZnSnS4 (CZTS) nanocrystals with a uniform size distribution by a one-step, thioglycolic acid (TGA)-assisted hydrothermal route. The formation mechanism and the role of TGA in the formation of CZTS compound were thoroughly studied. It has been found that TGA interacted with Cu(2+) to form Cu(+) at th...

Improving QSPR models for predicting standard enthalpy of formation with a hybrid approach for feature selection

A nontoxic and low-cost hydrothermal route for synthesis of hierarchical Cu2ZnSnS4 particles

We explore a facile and nontoxic hydrothermal route for synthesis of a Cu2ZnSnS4 nanocrystalline material by using l-cysteine as the sulfur source and ethylenediaminetetraacetic acid (EDTA) as the complexing agent. The effects of the amount of EDTA, the mole ratio of the three metal ions, and the hydrothermal temperature and time on the phase composition of the obtained product have been system...