For the very first time, (67)Zn, (119)Sn and (65)Cu NMR investigations have been carried out on Cu2ZnSnS4 derivatives (CZTS) for photovoltaic applications. NMR spectroscopy is shown to be sensitive enough to probe the Cu/Zn disorder within the kesterite structure of the studied compounds. In addition, reference spectra of Cu2ZnSnS4 are provided, and experimental (67)Zn and (65)Cu parameters are compared with ab initio calculations.
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http://dx.doi.org/10.1039/c3cp51320c | DOI Listing |
Acc Chem Res
August 2019
State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Key Laboratory of Magnetic Resonance in Biological Systems, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences , Wuhan 430071 , P. R. China.
Zeolites are important heterogeneous catalysts widely used in the modern chemical and petrochemical industries. Metal-containing zeolites show distinct performance in the catalytic processes such as fluid catalytic cracking, activation and conversion of light alkanes, methanol-to-aromatics conversion, biomass transformation, and so on. The metal speciation, distribution, and interactions on zeolites have enormous impact on their property and catalytic performance.
View Article and Find Full Text PDFProg Nucl Magn Reson Spectrosc
December 2018
Department of Chemistry and Biomolecular Sciences & Centre for Catalysis Research and Innovation, University of Ottawa, 10 Marie Curie Private, Ottawa, Ontario K1N 6N5, Canada. Electronic address:
We present a review of recent advances in solid-state nuclear magnetic resonance (SSNMR) studies of exotic nuclei. Exotic nuclei may be spin-1/2 or quadrupolar, and typically have low gyromagnetic ratios, low natural abundances, large quadrupole moments (when I > 1/2), or some combination of these properties, generally resulting in low receptivities and/or prohibitively broad line widths. Some nuclides are little studied for other reasons, also rendering them somewhat exotic.
View Article and Find Full Text PDFInorg Chem
August 2014
Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS , 2, rue de la Houssinière, BP 32229, 44322 Nantes Cedex 03, France.
The material Cu2ZnSn(S,Se)4 (CZTS) offers a promising indium-free alternative to Cu(In,Ga)Se2 for the absorber layer in thin-film solar cells. It is known that the highest solar energy conversion efficiencies are reached for Cu-poor, Zn-rich CZTS compositions and that too much disorder at the Cu and Zn sites can have a negative impact on the device performance. In this article, we investigate the structures of [VCu + ZnCu] A-type and [2ZnCu + ZnSn] B-type defect complexes and their impact on the long-range Cu/Zn disorder.
View Article and Find Full Text PDFPhys Chem Chem Phys
July 2013
Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS. 2, rue de la Houssinière, BP 32229, 44322 Nantes Cedex 03, France.
For the very first time, (67)Zn, (119)Sn and (65)Cu NMR investigations have been carried out on Cu2ZnSnS4 derivatives (CZTS) for photovoltaic applications. NMR spectroscopy is shown to be sensitive enough to probe the Cu/Zn disorder within the kesterite structure of the studied compounds. In addition, reference spectra of Cu2ZnSnS4 are provided, and experimental (67)Zn and (65)Cu parameters are compared with ab initio calculations.
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