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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

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Reference TypeJournal (article/letter/editorial)
TitleDFT and thermodynamics calculations of surface cation release in LiCoO2
JournalApplied Surface Science
AuthorsAbbaspour-Tamijani, AliAuthor
Bennett, Joseph W.Author
Jones, Diamond T.Author
Cartagena-Gonzalez, NataliaAuthor
Jones, Zachary R.Author
Laudadio, Elizabeth D.Author
Hamers, Robert J.Author
Santana, Juan A.Author
Mason, Sara E.Author
Year2020 (June)Volume515
PublisherElsevier BV
DOIdoi:10.1016/j.apsusc.2020.145865Search in ResearchGate
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Mindat Ref. ID9941566Long-form Identifiermindat:1:5:9941566:2
GUID0
Full ReferenceAbbaspour-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
Plain TextAbbaspour-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
In(n.d.) Applied Surface Science Vol. 515. Elsevier BV

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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
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., 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
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
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
Tamijani, Ali Abbaspour, Bjorklund, Jennifer L., Augustine, Logan J., Catalano, Jeffrey G., Mason, Sara E. (2020) Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al2O3(001) Surface. Langmuir, 36 (44) 13166-13180 doi:10.1021/acs.langmuir.0c01203
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
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Corum, Katie, Abbaspour Tamijani, Ali, Mason, Sara (2018) Density Functional Theory Study of Arsenate Adsorption onto Alumina Surfaces. Minerals, 8 (3) 91 doi:10.3390/min8030091
 
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