Study of the interaction of a palladium nanocontact with a hydrogen molecule

The interaction of a palladium nanocontact with a hydrogen molecule has been studied using molecular static method. The influence of impurity on the atomic structure and mechanical properties of the palladium nanocontact has been demonstrated. The characteristic interatomic distance has been determined in this contact. It has been found that the hydrogen molecule dissociates by interaction with nanocontact atoms.