Research output: Contribution to journal › Article › peer-review
NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material. / Lapteva, L. L.; Fedoseeva, Yu V.; Shlyakhova, E. V. et al.
In: Journal of Materials Science, Vol. 54, No. 16, 30.08.2019, p. 11168-11178.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material
AU - Lapteva, L. L.
AU - Fedoseeva, Yu V.
AU - Shlyakhova, E. V.
AU - Makarova, A. A.
AU - Bulusheva, L. G.
AU - Okotrub, A. V.
N1 - Publisher Copyright: © 2019, Springer Science+Business Media, LLC, part of Springer Nature.
PY - 2019/8/30
Y1 - 2019/8/30
N2 - Nitrogen-doped carbon nanomaterials have greater capacity and better cycling stability for Li-ion batteries as compared to undoped carbon materials. In situ near-edge X-ray absorption fine structure (NEXAFS) spectroscopy in combination with quantum chemical modeling has been applied to determine the chemical states of the incorporated nitrogen after interaction with lithium. NEXAFS N K-edge spectra of nitrogen-doped porous carbon were measured before and after thermal deposition of Li vapors. The simulation and interpretation of NEXAFS data were carried out based on density functional theory calculations of initial and lithiated graphene fragments that contained different nitrogen species. The preferable interactions of Li with pyridinic and hydrogenated pyridinic nitrogen which are located at edges of atomic vacancies and graphene planes were revealed.
AB - Nitrogen-doped carbon nanomaterials have greater capacity and better cycling stability for Li-ion batteries as compared to undoped carbon materials. In situ near-edge X-ray absorption fine structure (NEXAFS) spectroscopy in combination with quantum chemical modeling has been applied to determine the chemical states of the incorporated nitrogen after interaction with lithium. NEXAFS N K-edge spectra of nitrogen-doped porous carbon were measured before and after thermal deposition of Li vapors. The simulation and interpretation of NEXAFS data were carried out based on density functional theory calculations of initial and lithiated graphene fragments that contained different nitrogen species. The preferable interactions of Li with pyridinic and hydrogenated pyridinic nitrogen which are located at edges of atomic vacancies and graphene planes were revealed.
KW - DOPED GRAPHENE NANOSHEETS
KW - ORDERED MESOPOROUS CARBON
KW - ANODE MATERIALS
KW - ELECTROCHEMICAL PROPERTIES
KW - ION BATTERIES
KW - PERFORMANCE
KW - CAPACITY
KW - SURFACE
KW - FILMS
KW - TEMPERATURE
UR - http://www.scopus.com/inward/record.url?scp=85065963060&partnerID=8YFLogxK
U2 - 10.1007/s10853-019-03586-6
DO - 10.1007/s10853-019-03586-6
M3 - Article
AN - SCOPUS:85065963060
VL - 54
SP - 11168
EP - 11178
JO - Journal of Materials Science
JF - Journal of Materials Science
SN - 0022-2461
IS - 16
ER -
ID: 20044201