TY  - JOUR
AU  - Roitzheim, Christoph
AU  - Kuo, Liang-Yin
AU  - Sohn, Yoo Jung
AU  - Finsterbusch, Martin
AU  - Möller, Sören
AU  - Sebold, Doris
AU  - Valencia, Helen
AU  - Meledina, Maria
AU  - Mayer, Joachim
AU  - Breuer, Uwe
AU  - Kaghazchi, Payam
AU  - Guillon, Olivier
AU  - Fattakhova-Rohlfing, Dina
TI  - Boron in Ni-Rich NCM811 Cathode Material: Impact on Atomic and Microscale Properties
JO  - ACS applied energy materials
VL  - 5
IS  - 1
SN  - 2574-0962
CY  - Washington, DC
PB  - ACS Publications
M1  - FZJ-2022-01011
SP  - 524–538
PY  - 2022
AB  - Doping 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000736860600001
DO  - DOI:10.1021/acsaem.1c03000
UR  - https://juser.fz-juelich.de/record/905788
ER  -