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Mixed lead–alkali clusters in the gas phase and in liquid alloys

✍ Scribed by L. M. Molina; M. J. López; A. Rubio; J. A. Alonso; M. J. Stott

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 220 KB
Volume: 69
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1998)69:3<341::aid-qua12>3.0.co;2-5

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✦ Synopsis

Ab initio density functional calculations for Na Pb, Li Pb, Na Pb , and n n n 4 Li Pb are reported. The abundance of Na Pb observed in gas-phase experiments is n 4 6 explained as a consequence of evaporative cooling, which stops at Na Pb because of the 6 high evaporation energy of this cluster. Insight is also provided into the clustering in the liquid Li᎐Pb and Na᎐Pb alloys. Anomalies in several electronic, structural, and Ž thermodynamic properties were detected at certain compositions 20% Pb in Li᎐Pb; 20% . Pb and 50% Pb in Na᎐Pb and our calculations support the interpretation of those anomalies in terms of the formation of octet and Zintl clusters.

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