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2005 | OriginalPaper | Chapter
Modeling of Dehydration and Dehydrogenation in Pure and Ba-, Ca-, Sr- or Y-Modified Zirconia Nanolayer
Authors : N. V. Tokiy, T. Ye. Konstantinova, D. L. Savina, V. V. Tokiy
Published in: Hydrogen Materials Science and Chemistry of Carbon Nanomaterials
Publisher: Springer Netherlands
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In present work we predicted influence of every impurity Y, Ba, Ca, Sr the process of thermal desorption of hydrogen, OH- group and terminal water from the surface of zirconia plate nucleus. The results of our calculations are coordinated with experimentally observable disappearance of absorption band of terminal hydroxyl groups in zirconia at doping by Ba, Ca, Sr [8].