Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Charge polarization in partially lithiated single-walled carbon nanotubes. / Fedoseeva, Yu; Lapteva, L. L.; Makarova, A. A. и др.
в: Physical Chemistry Chemical Physics, Том 20, № 35, 21.09.2018, стр. 22592-22599.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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