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000905788 1001_ $$0P:(DE-Juel1)177016$$aRoitzheim, Christoph$$b0
000905788 245__ $$aBoron in Ni-Rich NCM811 Cathode Material: Impact on Atomic and Microscale Properties
000905788 260__ $$aWashington, DC$$bACS Publications$$c2022
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000905788 520__ $$aDoping of Ni-rich cathode active materials with boron is a promising way to improve their cycling stability and mitigate their degradation, but it is still not understood how this effect is achieved and where the boron is located. To receive deeper insights into the impact of doping on atomic and microscale properties, B-doped Li[Ni0.8Co0.1Mn0.1]O2 (NCM811) cathode materials were synthesized by a hydroxide coprecipitation as a model compound to verify the presence and location of boron in B-doped, Ni-rich NCM, as well as its impact on the microstructure and electrochemical properties, by a combined experimental and theoretical approach. Besides X-ray diffraction and Rietveld refinement, DFT calculation was used to find the preferred site of boron absorption and its effect on the NCM lattice parameters. It is found that boron shows a trigonal planar and tetrahedral coordination to oxygen in the Ni layers, leading to a slight increase in lattice parameter c through an electrostatic interaction with Li ions. Therefore, B-doping of NCM811 affects the crystal structure and cation disorder and leads to a change in primary particle size and shape. To experimentally prove that the observations are caused by boron incorporated into the NCM lattice, we detected, quantified, and localized boron in 2 mol % B-doped NCM811 by ion beam analysis and TOF-SIMS. It was possible to quantify boron by NRA with a depth resolution of 2 μm. We found a boron enrichment on the agglomerate surface but also, more importantly, a significant high and constant boron concentration in the interior of the primary particles near the surface, which experimentally verifies that boron is incorporated into the NCM811 lattice.
000905788 536__ $$0G:(DE-HGF)POF4-1221$$a1221 - Fundamentals and Materials (POF4-122)$$cPOF4-122$$fPOF IV$$x0
000905788 536__ $$0G:(BMBF)03EK3054A$$aVerbundvorhaben SimCaMat: Modellierung und Synthese verbesserter Kathodenmaterialien (03EK3054A)$$c03EK3054A$$x1
000905788 536__ $$0G:(BMBF)13XP0258B$$aMEET HiEnD III - Materials and Components to Meet High Energy Density Batteries (13XP0258B)$$c13XP0258B$$x2
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000905788 7001_ $$0P:(DE-Juel1)178838$$aKuo, Liang-Yin$$b1
000905788 7001_ $$0P:(DE-Juel1)159368$$aSohn, Yoo Jung$$b2
000905788 7001_ $$0P:(DE-Juel1)145623$$aFinsterbusch, Martin$$b3$$eCorresponding author
000905788 7001_ $$0P:(DE-Juel1)139534$$aMöller, Sören$$b4
000905788 7001_ $$0P:(DE-Juel1)129662$$aSebold, Doris$$b5
000905788 7001_ $$0P:(DE-Juel1)177677$$aValencia, Helen$$b6
000905788 7001_ $$0P:(DE-Juel1)174171$$aMeledina, Maria$$b7
000905788 7001_ $$0P:(DE-Juel1)130824$$aMayer, Joachim$$b8
000905788 7001_ $$0P:(DE-Juel1)133840$$aBreuer, Uwe$$b9
000905788 7001_ $$0P:(DE-Juel1)174502$$aKaghazchi, Payam$$b10
000905788 7001_ $$0P:(DE-Juel1)161591$$aGuillon, Olivier$$b11
000905788 7001_ $$0P:(DE-Juel1)171780$$aFattakhova-Rohlfing, Dina$$b12
000905788 773__ $$0PERI:(DE-600)2916551-9$$a10.1021/acsaem.1c03000$$gp. acsaem.1c03000$$n1$$p524–538$$tACS applied energy materials$$v5$$x2574-0962$$y2022
000905788 8564_ $$uhttps://juser.fz-juelich.de/record/905788/files/Boron%20in%20Ni-rich%20NCM811%20cathode%20material_neue%20EC_20210922_final_revised.pdf$$yPublished on 2021-12-23. Available in OpenAccess from 2022-12-23.
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