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Charge polarization in partially lithiated single-walled carbon nanotubes. / Fedoseeva, Yu; Lapteva, L. L.; Makarova, A. A. et al.

In: Physical Chemistry Chemical Physics, Vol. 20, No. 35, 21.09.2018, p. 22592-22599.

Research output: Contribution to journal › Article › peer-review

Harvard

Fedoseeva, Y, Lapteva, LL, Makarova, AA, Bulusheva, LG & Okotrub, AV 2018, 'Charge polarization in partially lithiated single-walled carbon nanotubes', Physical Chemistry Chemical Physics, vol. 20, no. 35, pp. 22592-22599. https://doi.org/10.1039/c8cp01510d

APA

Fedoseeva, Y., Lapteva, L. L., Makarova, A. A., Bulusheva, L. G., & Okotrub, A. V. (2018). Charge polarization in partially lithiated single-walled carbon nanotubes. Physical Chemistry Chemical Physics, 20(35), 22592-22599. https://doi.org/10.1039/c8cp01510d

Vancouver

Fedoseeva Y, Lapteva LL, Makarova AA, Bulusheva LG, Okotrub AV. Charge polarization in partially lithiated single-walled carbon nanotubes. Physical Chemistry Chemical Physics. 2018 Sept 21;20(35):22592-22599. doi: 10.1039/c8cp01510d

Author

Fedoseeva, Yu ; Lapteva, L. L. ; Makarova, A. A. et al. / Charge polarization in partially lithiated single-walled carbon nanotubes. In: Physical Chemistry Chemical Physics. 2018 ; Vol. 20, No. 35. pp. 22592-22599.

BibTeX

@article{f6eb2c391af1443aba944ce04b3982bb,
title = "Charge polarization in partially lithiated single-walled carbon nanotubes",
abstract = "Investigation of carbon/lithium interfaces is of great importance for elaboration of energy storage devices. Here, the effect of vacuum thermal deposition of lithium on single-walled carbon nanotubes (SWCNTs) is investigated by in situ X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure spectroscopy. From the XPS data, the composition of lithiated sample is LiC24. That corresponds to the presence of two types of carbon atoms on the SWCNT surface, namely, those located closely and far away from the adsorbed lithium. Quantum-chemical modeling of XPS valence-band spectra and calculation of atomic charges and molecular electrostatic potential map found that the former type of carbon atoms is in strong positive electric field created by lithium, whereas the Li-free SWCNT areas are charged negatively. An alternation of areas of positive potential and negative potential on the surface of partially lithiated SWCNTs can significantly affect processes in an electrochemical cell.",
keywords = "RAY PHOTOELECTRON-SPECTROSCOPY, ELECTRONIC-PROPERTIES, LITHIUM INTERCALATION, LI, GRAPHITE, PHOTOEMISSION, DENSITY, ABSORPTION, DEPOSITION, EXCITONS",
author = "Yu Fedoseeva and Lapteva, {L. L.} and Makarova, {A. A.} and Bulusheva, {L. G.} and Okotrub, {A. V.}",
note = "Publisher Copyright: {\textcopyright} 2018 the Owner Societies.",
year = "2018",
month = sep,
day = "21",
doi = "10.1039/c8cp01510d",
language = "English",
volume = "20",
pages = "22592--22599",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "35",

}

RIS

TY - JOUR

T1 - Charge polarization in partially lithiated single-walled carbon nanotubes

AU - Fedoseeva, Yu

AU - Lapteva, L. L.

AU - Makarova, A. A.

AU - Bulusheva, L. G.

AU - Okotrub, A. V.

N1 - Publisher Copyright: © 2018 the Owner Societies.

PY - 2018/9/21

Y1 - 2018/9/21

N2 - Investigation of carbon/lithium interfaces is of great importance for elaboration of energy storage devices. Here, the effect of vacuum thermal deposition of lithium on single-walled carbon nanotubes (SWCNTs) is investigated by in situ X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure spectroscopy. From the XPS data, the composition of lithiated sample is LiC24. That corresponds to the presence of two types of carbon atoms on the SWCNT surface, namely, those located closely and far away from the adsorbed lithium. Quantum-chemical modeling of XPS valence-band spectra and calculation of atomic charges and molecular electrostatic potential map found that the former type of carbon atoms is in strong positive electric field created by lithium, whereas the Li-free SWCNT areas are charged negatively. An alternation of areas of positive potential and negative potential on the surface of partially lithiated SWCNTs can significantly affect processes in an electrochemical cell.

AB - Investigation of carbon/lithium interfaces is of great importance for elaboration of energy storage devices. Here, the effect of vacuum thermal deposition of lithium on single-walled carbon nanotubes (SWCNTs) is investigated by in situ X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure spectroscopy. From the XPS data, the composition of lithiated sample is LiC24. That corresponds to the presence of two types of carbon atoms on the SWCNT surface, namely, those located closely and far away from the adsorbed lithium. Quantum-chemical modeling of XPS valence-band spectra and calculation of atomic charges and molecular electrostatic potential map found that the former type of carbon atoms is in strong positive electric field created by lithium, whereas the Li-free SWCNT areas are charged negatively. An alternation of areas of positive potential and negative potential on the surface of partially lithiated SWCNTs can significantly affect processes in an electrochemical cell.

KW - RAY PHOTOELECTRON-SPECTROSCOPY

KW - ELECTRONIC-PROPERTIES

KW - LITHIUM INTERCALATION

KW - LI

KW - GRAPHITE

KW - PHOTOEMISSION

KW - DENSITY

KW - ABSORPTION

KW - DEPOSITION

KW - EXCITONS

UR - http://www.scopus.com/inward/record.url?scp=85053455951&partnerID=8YFLogxK

U2 - 10.1039/c8cp01510d

DO - 10.1039/c8cp01510d

M3 - Article

AN - SCOPUS:85053455951

VL - 20

SP - 22592

EP - 22599

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 35

ER -

ID: 16599588