Remarkable effect of the preparation technique on the state of cobalt ions in BEA zeolites evidenced by FTIR spectroscopy of adsorbed CO and NO, TPR and XRD

Article Abstract:

The state of cobalt in two BEA zeolites was studied by XRD, TPR, and FTIR spectroscopy using CO and NO as probe molecules. The introduction of Co into SiBEA leads to an increase of unit cell parameters of the BEA structure and to the consumption of silanol groups in vacant T-sites of the dealuminated zeolite.

Science & research, Zeolites, Research, Molecular structure, Spectra, Fourier transform infrared spectroscopy

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Density functional theory study of Co, Rh, and Ir atoms deposited on the alpha-Al2O3(0001) surface

Article Abstract:

Spin polarized density functional theory based calculations within the GGA/PW91 exchange-correlation functional are carried out to investigate the interaction of Co, Rh, and Ir atoms with the Al-terminated alpha-Al2O3(0001) surface at 1/3 ML coverage.

Aluminum Oxide, Density functionals, Density functional theory

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