Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.

Abstract

We present a joint theoretical and experimental investigation of the optoelectronic properties of CuVO3, CuNbO3 and Cu5Ta11O30 materials for potential photocatalytic and solar cell applications. In addition to the experimental results obtained by powder X-ray diffraction and UV-Vis spectroscopy of the materials synthesized under flowing N2 gas at… (More)
DOI: 10.1039/c4cp02497d

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@article{Harb2014ScreenedCH, title={Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.}, author={Moussab Harb and Dilshad Masih and Kazuhiro Takanabe}, journal={Physical chemistry chemical physics : PCCP}, year={2014}, volume={16 34}, pages={18198-204} }