Photoelectron spectroscopy of sodium-coated<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>70</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>cluster ani

Palpant, Bruno; Otake, Atsushi; Hayakawa, F.; Lee, G. H.; Nakajima, Atsushi; Kaya, Kunimitsu

doi:10.1103/physrevb.60.4509

Cited by 36 publications

(34 citation statements)

References 19 publications

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“…This picture is consistent with the observations by the Martin group 18 and by Palpant et al 26,28 who interpreted their mass spectrometry and photoelectron spectroscopy data as the signature of homogeneous coating at low sizes. However, in accordance with the electric susceptibility measurements by Dugourd and coworkers, 29 we find that larger clusters are more stable when they form a droplet.…”

Section: Discussionsupporting

confidence: 92%

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Nucleation of a sodium droplet onC60

et al. 2003

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We investigate theoretically the progressive coating of C60 by several sodium atoms. Density functional calculations using a nonlocal functional are performed for NaC60 and Na2C60 in various configurations. These data are used to construct an empirical atomistic model in order to treat larger sizes in a statistical and dynamical context. Fluctuating charges are incorporated to account for charge transfer between sodium and carbon atoms. By performing systematic global optimization in the size range 1 ≤ n ≤ 30, we find that NanC60 is homogeneously coated at small sizes, and that a growing droplet is formed above n ≥ 8. The separate effects of single ionization and thermalization are also considered, as well as the changes due to a strong external electric field. The present results are discussed in the light of various experimental data.

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Section: Discussionsupporting

confidence: 92%

“…[17][18][19][20][21][22][23][24][25][26][27][28][29] Coverage of fullerenes with semiconductor atoms or clusters has also been investigated. 30,31 For alkaline earth materials it is now commonly accepted that many atoms homogeneously surround the C 60 molecule in spherically centred shells.…”

Section: Introductionmentioning

confidence: 99%

Nucleation of a sodium droplet onC60

et al. 2003

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“…Spectra of C 60 Na − n (n 12), however, suggest that sodium atoms on C 60 tend to form trimers or perhaps tetrahedral tetramers rather than uniformly covering C 60 as expected if Coulomb repulsion between the adsorbed cations would prevail [47][48][49], in agreement with the theoretical work mentioned above [37].…”

Section: Discussionsupporting

confidence: 73%

Adsorption of sodium and cesium on aggregates of C60

et al. 2016

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Abstract.We explore the formation of C60 sodium and C60 cesium complexes in superfluid helium nanodroplets. Anomalies in mass spectra of these doped droplets reveal anomalies in the stability of ions. (C60)mCs + n ions (m 6) are particularly abundant if they contain n = 6m + 1 cesium atoms; (C60)mCs 2+ n dications (m 3 or 5) are abundant if n = 6m + 2. These findings are consistent with the notion that alkali metal atoms (A) transfer their valence electrons into the three-fold degenerate lowest unoccupied orbital of C60, resulting in particularly stable C60A6 building blocks. However, (C60)4Cs 2+ n dications display an entirely different pattern; instead of an expected anomaly at n = 6 × 4 + 2 = 26 we observe a strong odd-even alternation starting at n = 6. Also surprising is the effect of adding one H2O or CO2 molecule to (C60)mCsn mono-or dications; anomalies shift by two units as if the impurity were acting as an acceptor for two valence electrons from the alkali metal atoms.

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“…18 Recently, a density functional theory calculation 9 found a 4-atom island of Na atoms adhered to fullerene, in the line of the Na aggregation adsorption on C 60 . Besides the studies on Na aggregation, Palpant et al, based on the detailed photoelectron spectroscopy studies, proposed the packing of Na atoms of Na n C 60 − (n ≤ 12) in the form as trimer with each of the three Na atoms lying above the center of a pentagon, 6,7 being similar to the Li adsorption configuration. This configuration of Na on C 60 was later used as the structural model for a density functional theory study.…”

Section: Introductionmentioning

confidence: 99%

“…2 The study on the interaction between the metal and the fullerene and the wetting or non-wetting of metal adsorption on fullerene surface plays a fundamental important role in exploring the physical and chemical properties and the potential application usage of the metal fullerene complexes. [3][4][5][6][7][8][9][10] Most recently, the metal fullerene complexes have also been intensively studied in the field of searching for suitable hydrogen storage materials. [11][12][13][14][15] In the metal-rich condition, the metal atoms may form spherical shell around the central fullerene 5 or aggregate to a metal droplet attached to the fullerene.…”

Section: Introductionmentioning

confidence: 99%

Insight into the vertical detachment energy oscillation of NanC60− clusters

Wang

Xiu

et al. 2012

The Journal of Chemical Physics

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We have performed a detailed density functional theory study on the structural and electronic properties of Na(n)C(60)(-) (n = 1-12) clusters. The calculated vertical detachment energies show good agreement with the experimental data, which confirms the 3p (n = 3p) oscillation rule. The oscillation can be attributed to the combination of the charge depletion distribution induced by removing electrons and the number of the sodium atoms in direct contact with the fullerene. Based on the structural and electronic properties, the Na atoms can be categorized into two groups, one is for the metal atoms directly bonded to the fullerene surface, and the other one is for those without bonding to the fullerene. The Na atoms in group one would donate electrons to both the fullerene and the Na atoms in group two. As the total number of the sodium atoms increases, the number of Na atoms in group one would continue increasing till the size n = 3p - 1 to meet a shoulder from n = 3p - 1 to n = 3p, which accounts for the maximum vertical detachment energy at the size of n = 3p as drawn from the detailed electronic property studies.

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Photoelectron spectroscopy of sodium-coatedC60andC70cluster ani

Cited by 36 publications

References 19 publications

Nucleation of a sodium droplet onC60

Nucleation of a sodium droplet onC60

Adsorption of sodium and cesium on aggregates of C60

Insight into the vertical detachment energy oscillation of NanC60− clusters

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