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Dissociative adsorption of oxygen and hydrogen, and the formation of hydroxyl groups on the surface of Cu, Ag, Ni, Pd and Pt

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Abstract

By the semi-empirical interacting bonds method, the heats of oxygen and hydrogen adsorption in a dissociative form on the (100) face of Cu, Ag, Ni, Pd and Pt have been calculated. It has been shown that most stable are the multiply bonded adsorption forms. For the different bonding states, the heat of hydroxyl group formation from O2 and H2 varies but slightly. The calculated values are compared with the experimental data.

Abstract

Полуэмпирическим методом взаимодействующих связей рассчитаны теплоты адсорбции кислорода и водорода в атомарной форме на грани (100) Cu, Ag, Ni, Pd, Pt. Показано, что наиболее устойчивыми являюся многосвязные формы адсорбции. Для гидроксильных групп при переходе от одно-к многосвязным формам адсорбции надлюодается лишь незначительное увеличение в теплоте их образования из H2 и O2. Рассчитанные значения сопоставлены с зкспериментальными данными.

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Sobyanin, V.A., Bulgakov, N.N. & Gorodetskii, V.V. Dissociative adsorption of oxygen and hydrogen, and the formation of hydroxyl groups on the surface of Cu, Ag, Ni, Pd and Pt. React Kinet Catal Lett 6, 125–132 (1977). https://doi.org/10.1007/BF02084187

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  • DOI: https://doi.org/10.1007/BF02084187

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