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Increase of heat capacity level in nanostructured palladiuminfluenced by hydrogen

Keywords:

I.S. Zamulin – Post-graduate Student, Katanov Khakass State University, Abakan. E-mail: zamulin_ivan@mail.ru
S.L. Gafner – Dr.Sc. (Phys.-Math.), Professor, Katanov Khakass State University, Abakan. E-mail: sgafner@khsu.ru sgafner@rambler
L.V. Redel – Ph.D. (Phys.-Math.), Associate Professor, Katanov Khakass State University, Abakan. Е-mail: lredel@khsu.ru
Yu.Ya. Gafner – Dr.Sc. (Phys.-Math.), Professor, Head of Department, Katanov Khakass State University, Abakan. Е-mail: ygafner@khsu.ru


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.
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