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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Materials Chemistry ...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Materials Chemistry and Physics
Article . 2016 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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Encapsulation of lawrencium into C 60 fullerene: Lr@C 60 versus Li@C 60

Authors: Ambrish Kumar Srivastava; Sarvesh Kumar Pandey; Neeraj Misra;

Encapsulation of lawrencium into C 60 fullerene: Lr@C 60 versus Li@C 60

Abstract

Abstract The position of Lawrencium (Lr) in the periodic table has been debated several times. It has been noticed that some fundamental properties of Lr differ from the other elements of the actinide series and closely resemble those of alkali metal. To be specific, the first ionization energy of Lr 4.96 eV [Nature 520 (2015) 209] lies within the range assigned to alkali metals. Motivated by this fact, we study Lr@C60 for the first time and compared its electronic properties with those of Li@C60. Using density functional theory and its time dependent version, we explore structures, vibrational infrared spectra, molecular orbital surfaces, density of states and electronic absorption spectra of Lr@C60 and Li@C60. We notice that although Lr resides very close to the centre of C60 than Li does, the electronic properties of Lr@C60 closely resemble those of Li@C60. For instance, Lr@C60 is as conducting and polarizable as Li@C60 due to almost equal frontier orbital energy gap and mean polarizability. This study is expected to provide further evidence where Lr atom mimics the alkali metal.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
29
Top 10%
Top 10%
Top 10%
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