1. Bond relaxation in length and energy of Li atomic clusters.
- Author
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Bo, Maolin, Wang, Yan, Liu, Yonghui, Li, Can, Huang, Yongli, and Sun, Chang Q.
- Subjects
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ATOMIC clusters , *PHOTOELECTRON spectrometers , *DENSITY functional theory , *BOND energy (Chemistry) , *ENERGY levels (Quantum mechanics) - Abstract
A combination of the photoelectron spectrometrics and density functional theory calculations has confirmed bond-order-length-strength (BOLS) predictions on the atomic undercoordination induced local bond contraction, charge densification and bond energy entrapment of lithium (Li) atomic clusters and layer-resolved Li(1 1 0) skins. Analysis also derives the energy level of an isolated Li atom and its shift upon bulk and skin formation, which is beyond the scope of currently available approaches. [ABSTRACT FROM AUTHOR]
- Published
- 2015
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