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Bennett, Joseph W., Jones, Diamond T., Hamers, Robert J., Mason, Sara E. (2018) First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide. Inorganic Chemistry, 57 (21) 13300-13311 doi:10.1021/acs.inorgchem.8b01855

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Reference TypeJournal (article/letter/editorial)
TitleFirst-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide
JournalInorganic Chemistry
AuthorsBennett, Joseph W.Author
Jones, Diamond T.Author
Hamers, Robert J.Author
Mason, Sara E.Author
Year2018 (November 5)Volume57
Issue21
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.inorgchem.8b01855Search in ResearchGate
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Mindat Ref. ID1636768Long-form Identifiermindat:1:5:1636768:1
GUID0
Full ReferenceBennett, Joseph W., Jones, Diamond T., Hamers, Robert J., Mason, Sara E. (2018) First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide. Inorganic Chemistry, 57 (21) 13300-13311 doi:10.1021/acs.inorgchem.8b01855
Plain TextBennett, Joseph W., Jones, Diamond T., Hamers, Robert J., Mason, Sara E. (2018) First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide. Inorganic Chemistry, 57 (21) 13300-13311 doi:10.1021/acs.inorgchem.8b01855
In(2018, November) Inorganic Chemistry Vol. 57 (21) American Chemical Society (ACS)

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Jones, Diamond, Bennett, Joseph, Hamers, Robert, Mason, Sara (2018) Modeling the Dissolution of Compositionally-Tuned Complex Metal Oxides from First Principles. Frontiers in Chemistry, 6. doi:10.3389/conf.fchem.2018.01.00022
Bennett, Joseph W., Jones, Diamond, Huang, Xu, Hamers, Robert J., Mason, Sara E. (2018) Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2. Environmental Science & Technology, 52 (10). 5792-5802 doi:10.1021/acs.est.8b00054
Abbaspour-Tamijani, Ali, Bennett, Joseph W., Jones, Diamond T., Cartagena-Gonzalez, Natalia, Jones, Zachary R., Laudadio, Elizabeth D., Hamers, Robert J., Santana, Juan A., Mason, Sara E. (2020) DFT and thermodynamics calculations of surface cation release in LiCoO2. Applied Surface Science, 515. 145865pp. doi:10.1016/j.apsusc.2020.145865
Hudson, Blake G., Jones, Diamond T., Rivera Bustillo, Victoria M., Bennett, Joseph W., Mason, Sara E. (2023) Understanding the Mechanism of Secondary Cation Release from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2: Insights from First-Principles. The Journal of Physical Chemistry C, 127 (43) 21022-21032 doi:10.1021/acs.jpcc.3c02764
Grimes, Ryan T., Leginze, Joshua A., Zochowski, Robert, Bennett, Joseph W. (2021) Surface Transformations of Lead Oxides and Carbonates Using First-Principles and Thermodynamics Calculations. Inorganic Chemistry, 60 (2) 1228-1240 doi:10.1021/acs.inorgchem.0c03398
Laudadio, Elizabeth D., Bennett, Joseph W., Green, Curtis M., Mason, Sara E., Hamers, Robert J. (2018) Impact of Phosphate Adsorption on Complex Cobalt Oxide Nanoparticle Dispersibility in Aqueous Media. Environmental Science & Technology, 52 (17). 10186-10195 doi:10.1021/acs.est.8b02324
Huang, Xu, Bennett, Joseph W., Hang, Mimi N., Laudadio, Elizabeth D., Hamers, Robert J., Mason, Sara E. (2017) Ab Initio Atomistic Thermodynamics Study of the (001) Surface of LiCoO2 in a Water Environment and Implications for Reactivity under Ambient Conditions. The Journal of Physical Chemistry C, 121 (9). 5069-5080 doi:10.1021/acs.jpcc.6b12163
Bennett, Joseph W., Bjorklund, Jennifer L., Forbes, Tori Z., Mason, Sara E. (2017) Systematic Study of Aluminum Nanoclusters and Anion Adsorbates. Inorganic Chemistry, 56 (21) 13014-13028 doi:10.1021/acs.inorgchem.7b01803
Bozich, Jared, Hang, Mimi, Hamers, Robert, Klaper, Rebecca (2017) Core chemistry influences the toxicity of multicomponent metal oxide nanomaterials, lithium nickel manganese cobalt oxide, and lithium cobalt oxide to Daphnia magna. Environmental Toxicology and Chemistry, 36. 2493-2502 doi:10.1002/etc.3791
Hsieh, I-Ta, Wu, Yuqin, Li, Bin, Qi, Yue (2024) First-principles study of the structures and redox mechanisms of Ni-rich lithium nickel manganese cobalt oxides. Solid State Ionics, 411. 116556 doi:10.1016/j.ssi.2024.116556
Netzsch, Philip, Gross, Peter, Takahashi, Hirotaka, Höppe, Henning A. (2018) Synthesis and Characterization of the First Borosulfates of Magnesium, Manganese, Cobalt, Nickel, and Zinc. Inorganic Chemistry, 57 (14) 8530-8539 doi:10.1021/acs.inorgchem.8b01234
 
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