A new equilibrium structure for the Na309 cluster
Source abstract
Abstract
A new mechanical equilibrium configuration for the cluster Na309 is presented. According to density functional theory (DFT), it is a closed shell geometry only 2.39 meV/atom less cohesive than the stablest one. It could be the structure whose presence was detected in previous experimental studies. With the goal of help the experiment to evaluate this possibility, we calculated the density of the electronic states (DOS) of the cluster at the predicted configuration.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Inorganic Chemistry and Materials · Inorganic Fluorides and Related Compounds · Advanced Chemical Physics Studies
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References (10)
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