Atomic deuterium bonding to multi-walled carbon nano tubes

Atomic deuterium adsorption on multi-walled carbon nanotubes (MWCNTs) has been achieved with a high deuteration level (≃70% of deuterated carbon atoms), and studied using complementary spectroscopic techniques, namely, photoelectron spectroscopy and Raman spectroscopy. As a consequence of the deuterium (D) adsorption on the MWCNTs, the sp2 bonds of the C atoms are distorted toward an sp3 configuration, and the π plasmon excitation of the metallic MWCNTs is quenched, suggesting the transition to a semiconducting phase. Such a controlled deuteration in ultra-high vacuum conditions induces the opening of an energy gap in the metallic MWCNTs, with the valence band maximum at about ∼3.1 eV below the Fermi level. The bond distortion and the strain induced by the D uptake is evidenced by the modification of the Raman response. This work shows that the molecular cracking of D2 in ultra-high vacuum is an efficient way to obtain stable, homogeneous, and high uptake of deuterium atoms with minimal presence of defects.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-05-15
DOI
https://doi.org/10.1063/5.0250642
Primary Topic
Hydrogen Storage and Materials
Type
article
Field-Weighted Citation Impact
0.00

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article

Atomic deuterium bonding to multi-walled carbon nano tubes

Sammar Tayyab, Carlo Mariani, Ilaria Rago, Elena Blundo et al.
The Journal of Chemical Physics
Hydrogen Storage and Materials
article

Atomic deuterium bonding to multi-walled carbon nano tubes

Sammar Tayyab, Carlo Mariani, Ilaria Rago, Elena Blundo, Alice Apponi, A. Ruocco, Maria Grazia Betti, A. Polimeni, Francesco Pandolfi, G. Cavoto, Ravi Prakash Yadav, Orlando Castellano
article en

Abstract

Atomic deuterium adsorption on multi-walled carbon nanotubes (MWCNTs) has been achieved with a high deuteration level (≃70% of deuterated carbon atoms), and studied using complementary spectroscopic techniques, namely, photoelectron spectroscopy and Raman spectroscopy. As a consequence of the deuterium (D) adsorption on the MWCNTs, the sp2 bonds of the C atoms are distorted toward an sp3 configuration, and the π plasmon excitation of the metallic MWCNTs is quenched, suggesting the transition to a semiconducting phase. Such a controlled deuteration in ultra-high vacuum conditions induces the opening of an energy gap in the metallic MWCNTs, with the valence band maximum at about ∼3.1 eV below the Fermi level. The bond distortion and the strain induced by the D uptake is evidenced by the modification of the Raman response. This work shows that the molecular cracking of D2 in ultra-high vacuum is an efficient way to obtain stable, homogeneous, and high uptake of deuterium atoms with minimal presence of defects.

The Journal of Chemical PhysicsVol. 162(19)
Roma Tre University (IT), Istituto Nazionale di Fisica Nucleare, Sezione di Roma Tre (IT), Istituto Nazionale di Fisica Nucleare, Sezione di Roma I (IT), Sapienza University of Rome (IT)
Ministero dell’Istruzione, dell’Università e della Ricerca, Sapienza Università di Roma
Openalex Percentile: Top 93%
Hydrogen Storage and Materials
DOISourceOpenAlex
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