Increase of heat capacity level in nanostructured palladiuminfluenced by hydrogen
- 1 аспирант, Хакасский государственный университет им. Н.Ф. Катанова (г. Абакан)
- 2 д.ф.-м.н., профессор, Хакасский государственный университет им. Н.Ф. Катанова (г. Абакан)
- 3 к.ф.-м.н., доцент, Хакасский государственный университет им. Н.Ф. Катанова (г. Абакан)
- 4 д.ф.-м.н., профессор, зав. кафедрой, Хакасский государственный университет им. Н.Ф. Катанова (г. Абакан)
Abstract
By molecular dynamics method using various tight-binding potentials we have investigated the heat capacity of ideal FCC palladium clusters of 6 nm in diameter in the temperature range from 150 to 300 K. The value obtained for palladium nanoparticles at 150 K exceeds that of the corresponding bulk material by 12-16 %. The nature of the significant overestimation of the heat capacity of compactificated nanomaterials relates to their disordered state, or a significant content of various kinds of impurities, mainly hydrogen.
How to cite
Замулин И.С., Гафнер С.Л., Редель Л.В., Гафнер Ю.Я. Рост значения теплоемкости в наноструктурированном палладии под влиянием водорода // Наноматериалы и наноструктуры - XXI век. 2013. № 4. С. 3–8.
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