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The role of anionic...
The role of anionic processes in Li1−xNi0.44Mn1.56O4 studied by resonant inelastic X-ray scattering
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- Massel, Felix, 1986- (author)
- Uppsala universitet,Energimaterialens fysik
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- Aktekin, Burak (author)
- Uppsala universitet,Strukturkemi
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- Liu, Yi-Sheng (author)
- Lawrence Berkeley National Laboratory
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- Guo, Jinghua (author)
- Lawrence Berkeley National Laboratory
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- Brandell, Daniel, 1975- (author)
- Uppsala universitet,Strukturkemi
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- Younesi, Reza (author)
- Uppsala universitet,Strukturkemi
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- Hahlin, Maria (author)
- Uppsala universitet,Strukturkemi,Energimaterialens fysik
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- Duda, Laurent (author)
- Uppsala universitet,Energimaterialens fysik
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(creator_code:org_t)
- 2023
- 2023
- English.
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In: Energy Advances. - : RSC Publishing. - 2753-1457. ; 2:3, s. 375-384
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Abstract
Subject headings
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- We investigated the first lithiation cycle of the positive electrode material Li1−xNi0.44Mn1.56O4 (LNMO) using soft X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the transition metal L- and oxygen K-edges. Our XAS results show that charge compensation in LNMO takes place mostly within the Ni–O bonds, which is consistent with previous similar studies. O K- and Ni L-RIXS reveals how the holes that are created by removal of electrons during delithiation are distributed between the Ni- and O-ions. Non-trivial anionic activity is revealed by O K-RIXS features such as the appearance of low-energy intra-band excitations and re-hybridization with Ni 3d-states forming a new intense band close to the top of the oxygen valence band. At the same time, Ni L-RIXS compares more favorably with covalently than with ionically bonded Ni-oxide based compounds. Thus, a picture emerges where delithiation leads to a gradual transition of the ground state of LNMO from Ni 3d8 to one with non-negligible amounts of ligand holes, i.e. Ni 3d8−x 2−x (0 < x < 2, where stands for a ligand hole) instead of a highly ionic state e.g. Ni 3d6. Our observations highlight the importance of studying the anionic character of redox processes in lithium ion batteries.
Subject headings
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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