Cited by 116Graphene research and applicationsAdvanced Chemical Physics StudiesAdsorption, diffusion, and thermodynamic properties of materials

Adsorption of CO 2 on Graphene: A Combined TPD, XPS, and vdW-DF Study

Takeuchi, Kaori, Yamamoto, Susumu, Hamamoto, Yuji, Shiozawa, Yuichiro, Tashima, Keiichiro, Fukidome, Hirokazu, Koitaya, Takanori, Mukai, Kozo +5 more·2017·The Journal of Physical Chemistry C

Abstract

The adsorption of CO 2 molecules on monolayer epitaxial graphene on a SiC(0001) surface at 30 K was investigated by temperature-programmed desorption and X-ray photoelectron spectroscopy. The desorption energy of CO 2 on graphene was determined to be (30.1–25.1) ± 1.5 kJ/mol at low coverages and approached the sublimation energy of dry ice (27–25 kJ/mol) with increasing the coverage. The adsorption of CO 2 on graphene was thus categorized into physisorption, which was further supported by the binding energies of CO 2 in core-level spectra. The adsorption states of CO 2 on graphene were theoretically examined by means of the van der Waals density functional (vdW-DF) method that includes nonlocal correlation. The experimental desorption energy was successfully reproduced with high accuracy using vdW-DF calculations; the optB86b-vdW functional was found to be most appropriate to reproduce the desorption energy in the present system.

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Crossref · 10.1021/acs.jpcc.6b11373

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Authors
Takeuchi, K., Yamamoto, S., Hamamoto, Y., Shiozawa, Y., Tashima, K., Fukidome, H., Koitaya, T., Mukai, K., Yoshimoto, S., Suemitsu, M., Morikawa, Y., Yoshinobu, J., & Matsuda, I.
Affiliations
  • The Institute for Solid State Physics, The University of Tokyo (JP)
  • The University of Osaka (JP)
  • Tohoku University (JP)
Corresponding author
Yamamoto, Susumu
Venue
The Journal of Physical Chemistry C
Published
2017-01-25
Volume
121
Issue
5
Pages
2807-2814
ISSN
  • 1932-7447 (ISSN-L)
  • 1932-7455
OpenAlex
W2576768292
Cited by
116
References
66
Citations by year
2026: 9 · 2025: 19 · 2024: 16 · 2023: 10 · 2022: 13 · 2021: 11 · 2020: 9 · 2019: 12 · 2018: 12 · 2017: 5
FWCI
4.39
Type
journal article
Language
en
Open access
closed
Locations
The Journal of Physical Chemistry C (publishedVersion)
Funders
  • Ministry of Education, Culture, Sports, Science and Technology
  • Japan Science and Technology Agency
  • University of Tokyo
Topics
  • Physical Sciences › Materials Science › Materials Chemistry › Graphene research and applications
  • Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
  • Physical Sciences › Chemistry › Spectroscopy › Adsorption, diffusion, and thermodynamic properties of materials
Keywords
CO2 adsorption, graphene, epitaxial graphene, SiC(0001), desorption energy, physisorption, binding energy, van der Waals density functional, temperature-programmed desorption, X-ray photoelectron spectroscopy

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