Possible role of charged defects in molecular solids

Document Type

Article

Publication Date

1-1-1987

Abstract

The atomistic fundamentals of the initiation of chemical reactions, combustion, or detonation in a molecular solid system is a largely unexplored area. What is clear is that in many molecular solids, largely van der Waals bonded, the solids largely decompose in a way that destroys the integrity of the well-bound molecules rather than dissociating into the constituent molecules. In this brief note we explore one possible mechanism for such behavior. We postulate the existence of charged defects in such a system and explore their effects. Because of the presence of charges, molecules polarize. This modifies their interactions with each other and may simultaneously destabilize the constituent molecule. © 1987 The American Physical Society.

Publication Title

Physical Review B

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