Hydrogen adsorption on electron-doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>monolayer on Cu(111) studied by He atom scattering

Yamada, Y.; Satake, Yuki; Watanabe, Kouji; Yokoyama, Yukihiro; Okada, Ryuta; Sasaki, Masahiro

doi:10.1103/physrevb.84.235425

Cited by 9 publications

(5 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…13 Figure 2a shows the calculated density of states (DOS) of Li@C 60 and C 60 on the Cu(111) substrate exhibiting the results in a large energy range to include the SAMOs. First, we can confirm that the DOS of C 60 /Cu(111) broadly agrees well with the previous experimental 11,20 and theoretical reports. 4 One can see significant differences between Li@C 60 and C 60 DOS, especially in the empty states.…”

supporting

confidence: 90%

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer

Sumi

Kuklin

Ueno

et al. 2021

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

Using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we directly determine the spatial and energetic distributions of superatom molecular orbitals (SAMOs) of an Li@C60 monolayer adsorbed on a Cu(111) surface. Utilizing a weakly bonded [Li+@C60] NTf2 – (NTf2 –: bis(trifluoromethanesulfonyl)imide) salt makes it possible to produce a Li@C60 monolayer with high concentration of Li@C60 molecules. Because of the very uniform adsorption geometry of Li@C60 on Cu(111), the p z -SAMO, populated above the upper hemisphere of the molecule, exhibits an isotropic and delocalized nature, with an energy that is significantly lower compared to that of C60. The isotropic overlapping of p z -SAMOs in the condensed monolayer of Li@C60 results in a laterally homogeneous STM image contributing to the formation of a free-electron-like states. These findings make an important step toward further basic research and applicative utilization of Li@C60 SAMOs.

show abstract

supporting

confidence: 90%

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer

Sumi

Kuklin

Ueno

et al. 2021

J. Phys. Chem. Lett.

View full text Add to dashboard Cite

show abstract

“…Teprovich et al reported on reversible chemisorption of hydrogen with lithium-doped C 60 to form fulleranes 28. The binding energies obtained in these latter studies26–28 greatly exceed the optimal range for sorbent materials 6…”

Section: Introductionmentioning

confidence: 99%

“…Saha and Deng reported that the hydrogen adsorption capacity of solid C 60 at 77 K and 120 bar could be tripled to 13 wt % upon controlled oxidation of the sample although the adsorption isotherms indicated a heat of adsorption of only 25 meV 25. Yamada et al investigated hydrogen adsorption on a C 60 monolayer deposited on a Cu(111) surface by helium scattering 26. Thermal desorption of a hydrogen monolayer resulted in a desorption peak at 437 K from which the authors estimated a binding energy of 1.2 eV.…”

Section: Introductionmentioning

confidence: 99%

Methane Adsorption on Aggregates of Fullerenes: Site‐Selective Storage Capacities and Adsorption Energies

et al. 2013

View full text Add to dashboard Cite

Methane adsorption on positively charged aggregates of C60 is investigated by both mass spectrometry and computer simulations. Calculated adsorption energies of 118–281 meV are in the optimal range for high-density storage of natural gas. Groove sites, dimple sites, and the first complete adsorption shells are identified experimentally and confirmed by molecular dynamics simulations, using a newly developed force field for methane–methane and fullerene–methane interaction. The effects of corrugation and curvature are discussed and compared with data for adsorption on graphite, graphene, and carbon nanotubes.

show abstract

“…A large charge transfer to C 60 of up to three electrons per molecule can also be obtained by the hybridization between a C 60 monolayer on Cu(111) . Yamada et al investigated the hydrogen absorption on such electron-doped C 60 monolayer on Cu(111) and found that most of the hydrogen is dissociatively chemisorbed on the C 60 monolayer. By Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), and neutron powder diffraction (NPD), we also found that hydrogen is chemisorbed on the intercalated C 60 , and the following reaction mechanism was proposed: , where M is an alkali metal (Li, Na).…”

Section: Introductionmentioning

confidence: 99%

Hydrogen Desorption Kinetics in Metal Intercalated Fullerides

Mauron

Gaboardi²,

Pontiroli³

et al. 2015

J. Phys. Chem. C

View full text Add to dashboard Cite

For different hydrogenated metal intercalated fullerides (Na 10 C 60 -H, Li 12 C 60 -H, and Li 28 C 60 -H) the activation energies for hydrogen desorption were determined by DSC. The Vyazovkin advanced method (VA) was used for the calculation of the reaction model free activation energy as a function of the extent of conversion α. Activation energies are highest for low α and decrease for increasing α, between around 200−145 and 245−175 kJ/mol for the Na and Li compounds, respectively. The decrease of activation energy as a function of the extent of conversion can be explained by an increasing charge transfer to the C 60 H 36+y cage during desorption. Na intercalation leads to a significant thermodynamic destabilization for hydrogen desorption. Dehydrogenation enthalpies of 52 (Na 10 C 60 -H), 66 (Li 12 C 60 -H), and 69 kJ/mol H 2 (Li 28 C 60 -H) were determined. These values are lower compared to literature values for desorption of pure C 60 H 36 (74 kJ/mol H 2 ). The onsets of hydrogen desorption are 185°C (Na 10 C 60 -H), 260°C (Li 12 C 60 -H), and 250°C (Li 28 C 60 -H) compared to >400°C for pure C 60 H 36 .

show abstract

Hydrogen adsorption on electron-dopedC60monolayer on Cu(111) studied by He atom scattering

Cited by 9 publications

References 33 publications

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer

Methane Adsorption on Aggregates of Fullerenes: Site‐Selective Storage Capacities and Adsorption Energies

Hydrogen Desorption Kinetics in Metal Intercalated Fullerides

Contact Info

Product

Resources

About

Hydrogen adsorption on electron-dopedC60monolayer on Cu(111) studied by He atom scattering

Cited by 9 publications

References 33 publications

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C60 Monolayer

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C60 Monolayer

Methane Adsorption on Aggregates of Fullerenes: Site‐Selective Storage Capacities and Adsorption Energies

Hydrogen Desorption Kinetics in Metal Intercalated Fullerides

Contact Info

Product

Resources

About

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer

Direct Visualization of Nearly Free Electron States Formed by Superatom Molecular Orbitals in a Li@C₆₀ Monolayer