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  A mild synthetic route to α-nitroso diaryl pyrroles (Postprint) 

  Published Version: Brown, E. B., Gapare, R. L., Campbell, J. W., Alkaş, A., Sequeira, S., Hilborn, J. W., ... & Thompson, A. (2024). A mild synthetic route to α-nitroso diaryl pyrroles. Organic & Biomolecular Chemistry, 22(30), 6122-6128.

  A new synthetic method to access α-nitroso pyrroles is presented. This method utilises the nitrosonium salt NOBF4, enabling short reaction times (<10 minutes) and avoiding the harsh acidic conditions usually associated ...
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  A series of potent BODIPY photosensitisers featuring tellurophene motifs at boron† (Postprint) 

  DOI https://doi.org/10.1039/D4OB00546E

  This article describes the synthesis and photophysical properties of a series of BODIPY photosensitisers that feature tellurophene motifs appended at the boron centre. These compounds were obtained via nucleophilic ...
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  Quantitative Measurement of Compositional Inhomogeneity in NMC Cathodes by X-ray Diffraction Postprint 

  Published Version: Mohammad H. Tahmasebi and M.N.Obrovac. Quantitative Measurement of Compositional Inhomogeneity in NMC Cathodes by X-ray Diffraction. J.Electrochem. Soc. (2023). Accepted manuscript. https://doi.org/10.1149/1945-7111/acefff

  A novel X-ray diffraction (XRD) analysis technique is described for quantitatively measuring compositional inhomogeneity in Li[NixMnyCoz]O2 (NMC) cathode materials and NMC precursors. Single-phase rock salt precursors with ...
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  Hydrothermally Deposited Carbon Coatings for Li-Ion Battery Active Materials Postprint 

  Published Version: Jun Wang, Yidan Cao and M.N Obrovac. Hydrothermally Deposited Carbon Coatings for Li-Ion Battery Active Materials. J.Electrochem. Soc. (2023). Accepted manuscript. https://doi.org/10.1149/1945-7111/acf0

  Hydrothermally deposited carbon coatings were evaluated for Li-ion battery materials. The applied coatings were found to be highly uniform and porous, with a density of 1.89 g/ml and a surface area of 370 m2/g. In lithium ...
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  BODIPYs with Chalcogenophenes at Boron: Synthesis and Properties. Postprint 

  BODIPYs with Chalcogenophenes at Boron: Synthesis and Properties Jacob W. Campbell, Matthew T. Tung, Katherine N. Robertson, Andrew A. Beharry, and Alison Thompson The Journal of Organic Chemistry Article ASAP DOI: 10.1021/acs.joc.3c00708

  Reported herein are the synthesis and characterization of BODIPYs bearing heterocycles at boron. To synthesize this series, various chalcogenophenes (furan, thiophene, selenophene, and tellurophene) were lithiated and then ...
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  A Density-Functional Benchmark of Vibrational Free-Energy Corrections for Molecular Crystal Polymorphism (Preprint) 

  Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082
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  Combinatorial Investigations of Ni-Si Negative Electrode Materials for Li-Ion Batteries 

  Zhijia Du, T.D. Hatchard, R.A. Dunlap and M.N. Obrovac, Combinatorial Investigations of Ni-Si Negative Electrode Materials for Li-Ion Batteries, J. Electrochem. Soc., 162 (2015), A1858-A1863.

  Sputtered thin films in the Ni-Si system (0 ≤ x ≤ 0.65 in NixSi1-x) were studied for use as anode materials in Li-ion cells. All compositions were found to be amorphous. The Ni in Ni-Si films was found to suppress the ...
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  Lab-scale chemical vapor deposition onto powders 

  113. Jun Wang and M.N Obrovac. Lab-scale Chemical Vapor Deposition onto Powders. AIP Advances, 12 (2022) 075209. doi: https://doi.org/10.1063/5.0095882

  In this paper, a laboratory chemical vapor deposition (CVD) reactor is described, which features an opposing screw rotating fluidized bed. The reactor efficiently concentrates powdered reactants in the reaction zone while ...
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  Improved Quantitative Crystal-Structure Comparison using Powder Diffractograms via Anisotropic Volume Correction 

  CrystEngComm 23, 7118-7131 (2021)
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  Theoretical Modeling of Structural Superlubricity in Rotated Bilayer Graphene, Hexagonal Boron Nitride, Molybdenum Disulfide, and Blue Phosphorene 

  Nanoscale. 13, 14399-14407 (2021)
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  Theoretical Investigation of Polymorph- and Coformer-Dependent Photoluminescence in Molecular Crystals 

  CrystEngComm 23, 4264-4271 (2021)
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  Computational Modeling of Piezochromism in Molecular Crystals 

  Computational Modeling of Piezochromism in Molecular Crystals; Feng, X., Becke, A. D., & Johnson, E. R. (2020). The Journal of Chemical Physics, 152(23), 234106.
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  Li-ion Battery Negative Electrodes Based on the FexZn1-x Alloy System (Preprint) 

  Published Version: L. MacEachern, R.A. Dunlap and M.N. Obrovac, Li-ion Battery Negative Electrodes Based on the FexZn1−x Alloy System, J. Non-Cryst. Solids, 409 (2015), 183-190. https://doi.org/10.1016/j.jnoncrysol.2014.11.026

  Thin-film Fe-Zn libraries were investigated as negative electrode materials for Li-ion batteries using combinatorial and high-throughput techniques. X-ray diffraction, Mössbauer effect spectroscopy and electron microprobe ...
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  Investigation of the NaNixMn1-xO2 (0 ≤ x ≤ 1) System for Na-ion Battery Cathode Materials (Preprint) 

  Published Version: R. Fielden and M. N. Obrovac, Investigation of the NaNixMn1-xO2 (0 ≤ x ≤ 1) System for Na-Ion Battery Cathode Materials, J. Electrochem. Soc., 162 (2015), A453-A459. https://doi.org/10.1149/2.0551503jes

  Layered NaNixMn1-xO2 (0 ≤ x ≤ 1) oxides were prepared via solid state reactions. Different reaction conditions were required to obtain phase pure samples, depending on the value of x. The 0 ≤ x ≤ 0.1 compositions were ...
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  Mössbauer and Electrochemical Investigations of Carbon-Rich Fe1-xCx Films (Preprint) 

  Published Version: Xiuyun Zhao, R.J. Sanderson, L. MacEachern, R.A. Dunlap and M.N. Obrovac, Mössbauer and Electrochemical Investigations of Carbon-Rich Fe1-xCxFilms, Electrochim. Acta, 170 (2015), 16-24. https://doi.org/10.1016/j.electacta.2015.04.116

  A thin film binary library of carbon-rich Fe1-xCx (0.47 ≤ x ≤ 0.97) alloys was prepared by combinatorial sputtering of carbon and iron. The sputtered library was characterized by X-ray diffraction and room temperature 57Fe ...
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  The Reversible Magnesiation of Pb (Preprint) 

  Published Version: Kalani Periyapperuma, Tuan T. Tran, M.I. Purcell and M.N. Obrovac, The Reversible Magnesiation of Pb, Electrochim. Acta, 165 (2015) 162-165. https://doi.org/10.1016/j.electacta.2015.03.006

  Sputtered Pb films have been found to reversibly alloy electrochemically with magnesium in Grignard based electrolytes. The voltage curve shows a single plateau at about 125 mV vs. Mg, corresponding to the formation of ...
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  Mixed Transition Metal Titanate and Vanadate Negative Electrode Materials for Na-Ion Batteries (Preprint) 

  Published Version: L. Brown, S. Smith and M. N. Obrovac, Mixed Transition Metal Titanate and Vanadate Negative Electrode Materials for Na-Ion Batteries, J. Electrochem. Soc., 162 (2015), A15-A20. https://doi.org/10.1149/2.0171501jes

  Sodium-ion batteries have the potential to be a low cost, sustainable replacement for lithium-ion batteries in large scale energy storage. The lack of practical negative electrode materials limit the development of Na-ion ...
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  A Combinatorial Investigation of Fe-Si-Zn Thin Film Negative Electrodes for Li-ion 2 Batteries (Preprint) 

  Published Version: L. Brown, S. Smith and M. N. Obrovac, Mixed Transition Metal Titanate and Vanadate Negative Electrode Materials for Na-Ion Batteries, J. Electrochem. Soc., 162 (2015), A15-A20.

  Sodium-ion batteries have the potential to be a low cost, sustainable replacement for lithium-ion batteries in large scale energy storage. The lack of practical negative electrode materials limit the development of Na-ion ...
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  A Combinatorial Investigation of Fe-Si-Zn Thin Film Negative Electrodes for Li-ion 1 Batteries (Preprint) 

  Published Version: L. MacEachern, R.A. Dunlap and M.N Obrovac, A Combinatorial Investigation of Fe-Si-Zn Thin Film Negative Electrodes for Li-Ion Batteries, J. Electrochem. Soc., 162 (2015), A229-A234. https://doi.org/10.1149/2.1051501jes

  Thin-film Fe-Si-Zn libraries were investigated as negative electrode materials for Li-ion batteries using combinatorial and high-throughput techniques. X-ray diffraction and electron microprobe measurements were used to ...
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  Synthesis, Lithium Insertion and Thermal Stability of Si–Mo Alloys 

  Simeng Cao, Shayne Gracious, J. Craig Bennett and M. N. Obrovac. Synthesis, Lithium Insertion and Thermal Stability of Si–Mo Alloys. J. Electrochem. Soc. (2020), 167 (13), 130531.

  Li insertion was investigated in SixMo100−x (90 ≥ x ≥ 70, Δx = 10) alloys prepared by mechanical ball milling. X-ray diffraction (XRD) and quantitative phase analysis were used to analyze phase compositions of these Si–Mo ...

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