Structural stability of polymeric nitrogen: A first-principles investigation
Abstract
The search for the stable single-bonded (polymeric) solid nitrogen attracted much attention in view of its potential application as a high energy density material. In this study, the stability of different candidate polymeric structures of nitrogen has been studied using ab initio calculations based on density-functional theory for the first time, from the angles of thermodynamic stabilities, mechanical stabilities, and dynamical stabilities in...
Paper Details
Title
Structural stability of polymeric nitrogen: A first-principles investigation
Published Date
Jan 11, 2010
Volume
132
Issue
2
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