Identifying the Distribution of Al$^{\textrm{3+}}$ in LiNi$_{\textrm{0.8}}$Co$_{\textrm{0.15}}$Al$_{\textrm{0.05}}$O$_{\textrm{2}}$. Trease, N., Seymour, I., Radin, M., Liu, H., Liu, H., Hy, S., Chernova, N., Parikh, P., Devaraj, A., Wiaderek, K., Chupas, P., Chapman, K., Whittingham, M. S., Meng, Y. S., Van der Ven, A., & Grey, C. Chemistry of Materials, 28(22):8170 – 8180, October, 2016. doi abstract bibtex The doping of Al into layered Li transition metal (TM) oxide cathode materials, LiTMO$_{\textrm{2}}$, is known to improve the structural and thermal stability, although the origin of the enhanced properties is not well understood. The effect of aluminum doping on layer stabilization has been investigated using a combination of techniques to measure the aluminum distribution in layered LiNi$_{\textrm{0.8}}$Co$_{\textrm{0.15}}$Al$_{\textrm{0.05}}$O$_{\textrm{2}}$ (NCA) over multiple length scales with $^{\textrm{27}}$Al and $^{\textrm{7}}$Li MAS NMR, local electrode atom probe (APT) tomography, X-ray and neutron diffraction, DFT, and SQUID magnetic susceptibility measurements. APT ion maps show a homogenous distribution of Ni, Co, Al and O$_{\textrm{2}}$ throughout the structure at the single particle level in agreement with the high-temperature phase diagram. $^{\textrm{7}}$Li and $^{\textrm{27}}$Al NMR indicates that the Ni3+ ions undergo a dynamic Jahn-Teller (JT) distortion. $^{\textrm{27}}$Al NMR spectra indicate that the Al reduces the strain associated with the JT distortion, by preferential electronic ordering of the JT long bonds directed toward the Al$^{\textrm{3+}}$ ion. The ability to understand the complex atomic and orbital ordering around Al$^{\textrm{3+}}$ demonstrated in the current method will be useful for studying the local environment of Al$^{\textrm{3+}}$ in a range of transition metal oxide battery materials.
@article{trease_identifying_2016,
title = {Identifying the {Distribution} of {Al}$^{\textrm{3+}}$ in {LiNi}$_{\textrm{0.8}}${Co}$_{\textrm{0.15}}${Al}$_{\textrm{0.05}}${O}$_{\textrm{2}}$},
volume = {28},
copyright = {All rights reserved},
issn = {0897-4756},
doi = {10.1021/acs.chemmater.6b02797},
abstract = {The doping of Al into layered Li transition metal (TM) oxide cathode materials, LiTMO$_{\textrm{2}}$, is known to improve the structural and thermal stability, although the origin of the enhanced properties is not well understood. The effect of aluminum doping on layer stabilization has been investigated using a combination of techniques to measure the aluminum distribution in layered LiNi$_{\textrm{0.8}}$Co$_{\textrm{0.15}}$Al$_{\textrm{0.05}}$O$_{\textrm{2}}$ (NCA) over multiple length scales with $^{\textrm{27}}$Al and $^{\textrm{7}}$Li MAS NMR, local electrode atom probe (APT) tomography, X-ray and neutron diffraction, DFT, and SQUID magnetic susceptibility measurements. APT ion maps show a homogenous distribution of Ni, Co, Al and O$_{\textrm{2}}$ throughout the structure at the single particle level in agreement with the high-temperature phase diagram. $^{\textrm{7}}$Li and $^{\textrm{27}}$Al NMR indicates that the Ni3+ ions undergo a dynamic Jahn-Teller (JT) distortion. $^{\textrm{27}}$Al NMR spectra indicate that the Al reduces the strain associated with the JT distortion, by preferential electronic ordering of the JT long bonds directed toward the Al$^{\textrm{3+}}$ ion. The ability to understand the complex atomic and orbital ordering around Al$^{\textrm{3+}}$ demonstrated in the current method will be useful for studying the local environment of Al$^{\textrm{3+}}$ in a range of transition metal oxide battery materials.},
number = {22},
journal = {Chemistry of Materials},
author = {Trease, Nicole and Seymour, Ieuan and Radin, Maxwell and Liu, Haodong and Liu, Hao and Hy, Sunny and Chernova, Natasha and Parikh, Pritesh and Devaraj, Arun and Wiaderek, Kamila and Chupas, Peter and Chapman, Karena and Whittingham, M. Stanley and Meng, Ying Shirley and Van der Ven, Anton and Grey, Clare},
month = oct,
year = {2016},
pages = {8170 -- 8180},
}
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The effect of aluminum doping on layer stabilization has been investigated using a combination of techniques to measure the aluminum distribution in layered LiNi$_{\\textrm{0.8}}$Co$_{\\textrm{0.15}}$Al$_{\\textrm{0.05}}$O$_{\\textrm{2}}$ (NCA) over multiple length scales with $^{\\textrm{27}}$Al and $^{\\textrm{7}}$Li MAS NMR, local electrode atom probe (APT) tomography, X-ray and neutron diffraction, DFT, and SQUID magnetic susceptibility measurements. APT ion maps show a homogenous distribution of Ni, Co, Al and O$_{\\textrm{2}}$ throughout the structure at the single particle level in agreement with the high-temperature phase diagram. $^{\\textrm{7}}$Li and $^{\\textrm{27}}$Al NMR indicates that the Ni3+ ions undergo a dynamic Jahn-Teller (JT) distortion. $^{\\textrm{27}}$Al NMR spectra indicate that the Al reduces the strain associated with the JT distortion, by preferential electronic ordering of the JT long bonds directed toward the Al$^{\\textrm{3+}}$ ion. The ability to understand the complex atomic and orbital ordering around Al$^{\\textrm{3+}}$ demonstrated in the current method will be useful for studying the local environment of Al$^{\\textrm{3+}}$ in a range of transition metal oxide battery materials.","number":"22","journal":"Chemistry of Materials","author":[{"propositions":[],"lastnames":["Trease"],"firstnames":["Nicole"],"suffixes":[]},{"propositions":[],"lastnames":["Seymour"],"firstnames":["Ieuan"],"suffixes":[]},{"propositions":[],"lastnames":["Radin"],"firstnames":["Maxwell"],"suffixes":[]},{"propositions":[],"lastnames":["Liu"],"firstnames":["Haodong"],"suffixes":[]},{"propositions":[],"lastnames":["Liu"],"firstnames":["Hao"],"suffixes":[]},{"propositions":[],"lastnames":["Hy"],"firstnames":["Sunny"],"suffixes":[]},{"propositions":[],"lastnames":["Chernova"],"firstnames":["Natasha"],"suffixes":[]},{"propositions":[],"lastnames":["Parikh"],"firstnames":["Pritesh"],"suffixes":[]},{"propositions":[],"lastnames":["Devaraj"],"firstnames":["Arun"],"suffixes":[]},{"propositions":[],"lastnames":["Wiaderek"],"firstnames":["Kamila"],"suffixes":[]},{"propositions":[],"lastnames":["Chupas"],"firstnames":["Peter"],"suffixes":[]},{"propositions":[],"lastnames":["Chapman"],"firstnames":["Karena"],"suffixes":[]},{"propositions":[],"lastnames":["Whittingham"],"firstnames":["M.","Stanley"],"suffixes":[]},{"propositions":[],"lastnames":["Meng"],"firstnames":["Ying","Shirley"],"suffixes":[]},{"propositions":["Van","der"],"lastnames":["Ven"],"firstnames":["Anton"],"suffixes":[]},{"propositions":[],"lastnames":["Grey"],"firstnames":["Clare"],"suffixes":[]}],"month":"October","year":"2016","pages":"8170 – 8180","bibtex":"@article{trease_identifying_2016,\n\ttitle = {Identifying the {Distribution} of {Al}$^{\\textrm{3+}}$ in {LiNi}$_{\\textrm{0.8}}${Co}$_{\\textrm{0.15}}${Al}$_{\\textrm{0.05}}${O}$_{\\textrm{2}}$},\n\tvolume = {28},\n\tcopyright = {All rights reserved},\n\tissn = {0897-4756},\n\tdoi = {10.1021/acs.chemmater.6b02797},\n\tabstract = {The doping of Al into layered Li transition metal (TM) oxide cathode materials, LiTMO$_{\\textrm{2}}$, is known to improve the structural and thermal stability, although the origin of the enhanced properties is not well understood. The effect of aluminum doping on layer stabilization has been investigated using a combination of techniques to measure the aluminum distribution in layered LiNi$_{\\textrm{0.8}}$Co$_{\\textrm{0.15}}$Al$_{\\textrm{0.05}}$O$_{\\textrm{2}}$ (NCA) over multiple length scales with $^{\\textrm{27}}$Al and $^{\\textrm{7}}$Li MAS NMR, local electrode atom probe (APT) tomography, X-ray and neutron diffraction, DFT, and SQUID magnetic susceptibility measurements. APT ion maps show a homogenous distribution of Ni, Co, Al and O$_{\\textrm{2}}$ throughout the structure at the single particle level in agreement with the high-temperature phase diagram. $^{\\textrm{7}}$Li and $^{\\textrm{27}}$Al NMR indicates that the Ni3+ ions undergo a dynamic Jahn-Teller (JT) distortion. $^{\\textrm{27}}$Al NMR spectra indicate that the Al reduces the strain associated with the JT distortion, by preferential electronic ordering of the JT long bonds directed toward the Al$^{\\textrm{3+}}$ ion. The ability to understand the complex atomic and orbital ordering around Al$^{\\textrm{3+}}$ demonstrated in the current method will be useful for studying the local environment of Al$^{\\textrm{3+}}$ in a range of transition metal oxide battery materials.},\n\tnumber = {22},\n\tjournal = {Chemistry of Materials},\n\tauthor = {Trease, Nicole and Seymour, Ieuan and Radin, Maxwell and Liu, Haodong and Liu, Hao and Hy, Sunny and Chernova, Natasha and Parikh, Pritesh and Devaraj, Arun and Wiaderek, Kamila and Chupas, Peter and Chapman, Karena and Whittingham, M. Stanley and Meng, Ying Shirley and Van der Ven, Anton and Grey, Clare},\n\tmonth = oct,\n\tyear = {2016},\n\tpages = {8170 -- 8180},\n}\n\n\n\n","author_short":["Trease, N.","Seymour, I.","Radin, M.","Liu, H.","Liu, H.","Hy, S.","Chernova, N.","Parikh, P.","Devaraj, A.","Wiaderek, K.","Chupas, P.","Chapman, K.","Whittingham, M. S.","Meng, Y. 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