Electrochemical Li Intercalation in Black Phosphorus: In Situ and Ex Situ Studies

Rajapakse, Manthila; Musa, Rajib; Abu, Usman O.; Karki, Bhupendra; Yu, Ming; Sumanasekera, Gamini; Jasinski, Jacek B.

doi:10.1021/acs.jpcc.0c00815

Electrochemical Li Intercalation in Black Phosphorus: In Situ and Ex Situ Studies

Journal Article · Fri Apr 17 04:00:00 EDT 2020 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.0c00815· OSTI ID:1773994

Rajapakse, Manthila ^[1]; Musa, Rajib ^[2]; Abu, Usman O. ^[2]; Karki, Bhupendra ^[2]; Yu, Ming ^[2]; Sumanasekera, Gamini ^[2]; ^[2]

Univ. of Louisville, KY (United States); University of Louisville
Univ. of Louisville, KY (United States)

A systematic study on electrochemical charge transfer in Li-doped black phosphorous (BP) was carried out by both in-situ and ex-situ Raman scattering. Galvanostatic discharge of dedicated in-situ electrochemical cell for Raman spectroscopy was used to study time evolution of vibrational modes under lithiation. In addition to the peak broadening which is a result of structural expansion, peaks corresponding to all three atomic vibrational modes A¹_g, B²_g and A²_g were found to red-shift as a result of lithiation. Peaks B²_g and A²_g were shifted about 1.6 times more towards lower wavenumbers in comparison to A¹_g. Further characterizations using optical and electron microscopy showed that the intercalation of BP is highly anisotropic, where channels along the zigzag direction were found to be the easy direction for intercalation. X-ray diffraction on intercalated samples confirmed a reduction of thickness as lithiation weakens interlayer bonding, thus resulting in a partial exfoliation of BP flakes. Here, first principle studies using density function theory (DFT) were used to develop a theoretical model for the intercalation mechanism. The discrepancy between the experimental and the theoretical results was also addressed.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Louisville, KY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019348

OSTI ID:: 1773994

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 19 Vol. 124; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Electrochemical Li Intercalation in Black Phosphorus: In Situ and Ex Situ Studies

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