2024
Synthesis, Structure, and Properties of CuBiSeCl<sub>2</sub>: A Chalcohalide Material with Low Thermal Conductivity (Journal article)
Hawkins, C. J., Newnham, J. A., Almoussawi, B., Gulay, N. L., Goodwin, S. L., Zanella, M., . . . Rosseinsky, M. J. (n.d.). Synthesis, Structure, and Properties of CuBiSeCl<sub>2</sub>: A Chalcohalide Material with Low Thermal Conductivity. Chemistry of Materials. doi:10.1021/acs.chemmater.4c00188DOI: 10.1021/acs.chemmater.4c00188
Gibson, Q. D., Wen, D., Lin, H., Zanella, M., Daniels, L. M., Robertson, C. M., . . . Rosseinsky, M. J. (2024). Control of Polarity in Kagome-NiAs Bismuthides.. Angewandte Chemie (International ed. in English), e202403670. doi:10.1002/anie.202403670DOI: 10.1002/anie.202403670
Gibson, Q. D., Wen, D., Lin, H., Zanella, M., Daniels, L. M., Robertson, C. M., . . . Rosseinsky, M. J. (n.d.). Control of Polarity in Kagome‐NiAs Bismuthides. Angewandte Chemie. doi:10.1002/ange.202403670DOI: 10.1002/ange.202403670
Wright, M. A., Surta, T. W., Evans, J. A., Lim, J., Jo, H., Hawkins, C. J., . . . Rosseinsky, M. J. (2024). Accessing Mg-Ion Storage in V2PS10 via Combined Cationic-Anionic Redox with Selective Bond Cleavage.. Angewandte Chemie (International ed. in English), e202400837. doi:10.1002/anie.202400837DOI: 10.1002/anie.202400837
Wright, M. A., Surta, T. W., Evans, J. A., Lim, J., Jo, H., Hawkins, C. J., . . . Rosseinsky, M. J. (n.d.). Accessing Mg‐Ion Storage in V2PS10 via Combined Cationic‐Anionic Redox with Selective Bond Cleavage. Angewandte Chemie. doi:10.1002/ange.202400837DOI: 10.1002/ange.202400837
Han, G., Vasylenko, A., Daniels, L. M., Collins, C. M., Corti, L., Chen, R., . . . Rosseinsky, M. J. (2024). Superionic lithium transport via multiple coordination environments defined by two-anion packing. Science, 383(6684), 739-745. doi:10.1126/science.adh5115DOI: 10.1126/science.adh5115
Surta, T. W., Keeney, L., Manjón-Sanz, A. M., Crawford, C., Morscher, A., Daniels, L. M., . . . Rosseinsky, M. J. (2024). Separation of K+ and Bi3+ displacements in a Pb-free, monoclinic piezoelectric at the morphotropic phase boundary. Acta Materialia, 265, 119594. doi:10.1016/j.actamat.2023.119594DOI: 10.1016/j.actamat.2023.119594
Hampson, C. J., Smith, M. P., Arciero, L. L., Collins, C. M., Daniels, L. M., Manning, T. D., . . . Rosseinsky, M. J. (n.d.). A high throughput synthetic workflow for solid state synthesis of oxides. Chemical Science. doi:10.1039/d3sc05688kDOI: 10.1039/d3sc05688k
2023
Braga, F., Casano, G., Daniels, L. M., Caffio, M., & Hardwick, L. J. (2023). Electrodeposition of manganese dioxide coatings onto graphene foam substrates for electrochemical capacitors. ELECTROCHIMICA ACTA, 455. doi:10.1016/j.electacta.2023.142433DOI: 10.1016/j.electacta.2023.142433
Newnham, J. A., Gibson, Q. D., Surta, T. W., Morscher, A., Manning, T. D., Daniels, L. M., . . . Rosseinsky, M. J. (2023). Low thermal conductivity in Bi<sub>8</sub>CsO<sub>8</sub>SeX<sub>7</sub> (X = Cl, Br) by combining different structural motifs. JOURNAL OF MATERIALS CHEMISTRY A, 11(29), 15739-15748. doi:10.1039/d3ta01630gDOI: 10.1039/d3ta01630g
Duff, B. B., Elliott, S. J., Gamon, J., Daniels, L. M., Rosseinsky, M. J., & Blanc, F. (2023). Toward Understanding of the Li-Ion Migration Pathways in the Lithium Aluminum Sulfides Li3AlS3 and Li4.3AlS3.3Cl0.7 via 6,7Li Solid- State Nuclear Magnetic Resonance Spectroscopy. CHEMISTRY OF MATERIALS, 35(1), 27-40. doi:10.1021/acs.chemmater.2c02101DOI: 10.1021/acs.chemmater.2c02101
Cai, H., Chen, R., Bahri, M., Hawkins, C. J., Sonni, M., Daniels, L. M., . . . Rosseinsky, M. J. (2023). Fluorine-Rich Oxyfluoride Spinel-like Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability. ACS MATERIALS LETTERS. doi:10.1021/acsmaterialslett.2c00973DOI: 10.1021/acsmaterialslett.2c00973
2022
Hargreaves, C. J. J., Gaultois, M. W. W., Daniels, L. M. M., Watts, E. J. J., Kurlin, V. A. A., Moran, M., . . . Dyer, M. S. S. (2023). A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-022-00951-zDOI: 10.1038/s41524-022-00951-z
Morscher, A., Duff, B. B., Han, G., Daniels, L. M., Dang, Y., Zanella, M., . . . Rosseinsky, M. J. (2022). Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li<sub>6+<i>X</i></sub>P<sub>1-<i>X</i></sub>Si<i><sub>X</sub></i>O<sub>5</sub>Cl. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(48), 22178-22192. doi:10.1021/jacs.2c09863DOI: 10.1021/jacs.2c09863
Gibson, Q. D., Robertson, C. M., Dyer, M. S., Zanella, M., Surta, T. W., Daniels, L. M., . . . Rosseinsky, M. J. (n.d.). Single crystal growth and properties of the polar ferromagnet Mn1.05Bi with Kagome layers, huge magnetic anisotropy and slow spin dynamics. Physical Review Materials, 6(11). doi:10.1103/physrevmaterials.6.114405DOI: 10.1103/physrevmaterials.6.114405
Fluorine-Rich Oxyfluoride Spinel Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability (Preprint)
DOI: 10.26434/chemrxiv-2022-8f3fk
Newnham, J. A., Zhao, T., Gibson, Q. D., Manning, T. D., Zanella, M., Mariani, E., . . . Rosseinsky, M. J. (2022). Band Structure Engineering of Bi<sub>4</sub>O<sub>4</sub>SeCl<sub>2</sub> for Thermoelectric Applications. ACS ORGANIC & INORGANIC AU, 2(5), 405-414. doi:10.1021/acsorginorgau.2c00018DOI: 10.1021/acsorginorgau.2c00018
Gibson, Q. D., Newnham, J. A., Dyer, M. S., Robertson, C. M., Zanella, M., Surta, T. W., . . . Rosseinsky, M. J. (2022). Expanding multiple anion superlattice chemistry: Synthesis, structure and properties of Bi<sub>4</sub>O<sub>4</sub>SeBr<sub>2</sub> and Bi<sub>6</sub>O<sub>6</sub>Se<sub>2</sub>Cl<sub>2</sub>. JOURNAL OF SOLID STATE CHEMISTRY, 312. doi:10.1016/j.jssc.2022.123246DOI: 10.1016/j.jssc.2022.123246
Leube, B. T., Collins, C. M., Daniels, L. M., Duff, B. B., Dang, Y., Chen, R., . . . Rosseinsky, M. J. (2022). Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li<sub>7</sub>Zn<sub>0.5</sub>SiS<sub>6</sub>. CHEMISTRY OF MATERIALS, 34(9), 4073-4087. doi:10.1021/acs.chemmater.2c00320DOI: 10.1021/acs.chemmater.2c00320
Hu, D., Dawson, K., Zanella, M., Manning, T. D., Daniels, L. M., Browning, N. D., . . . Rosseinsky, M. J. (2022). Enhanced Long-Term Cathode Stability by Tuning Interfacial Nanocomposite for Intermediate Temperature Solid Oxide Fuel Cells. ADVANCED MATERIALS INTERFACES, 9(14). doi:10.1002/admi.202102131DOI: 10.1002/admi.202102131
Hu, D., Kim, J., Niu, H., Daniels, L. M., Manning, T. D., Chen, R., . . . Rosseinsky, M. J. (2022). High-performance protonic ceramic fuel cell cathode using protophilic mixed ion and electron conducting material. JOURNAL OF MATERIALS CHEMISTRY A, 10(5), 2559-2566. doi:10.1039/d1ta07113kDOI: 10.1039/d1ta07113k
2021
Tollitt, A. M., Vismara, R., Daniels, L. M., Antypov, D., Gaultois, M. W., Katsoulidis, A. P., & Rosseinsky, M. J. (2021). High-Throughput Discovery of a Rhombohedral Twelve-Connected Zirconium-Based Metal-Organic Framework with Ordered Terephthalate and Fumarate Linkers. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60(52), 26939-26946. doi:10.1002/anie.202108150DOI: 10.1002/anie.202108150
Tollitt, A. M., Vismara, R., Daniels, L. M., Antypov, D., Gaultois, M. W., Katsoulidis, A. P., & Rosseinsky, M. J. (2021). High‐Throughput Discovery of a Rhombohedral Twelve‐Connected Zirconium‐Based Metal‐Organic Framework with Ordered Terephthalate and Fumarate Linkers. Angewandte Chemie, 133(52), 27145-27152. doi:10.1002/ange.202108150DOI: 10.1002/ange.202108150
Perez, A. J., Vasylenko, A., Surta, T. W., Niu, H., Daniels, L. M., Hardwick, L. J., . . . Rosseinsky, M. J. (2021). Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li<sub>4</sub>CuSbO<sub>5.5</sub>, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure. INORGANIC CHEMISTRY, 60(24), 19022-19034. doi:10.1021/acs.inorgchem.1c02882DOI: 10.1021/acs.inorgchem.1c02882
Gamon, J., Dyer, M. S., Duff, B. B., Vasylenko, A., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Li<sub>4.3</sub>AlS<sub>3.3</sub>Cl<sub>0.7</sub>: A Sulfide-Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity. CHEMISTRY OF MATERIALS, 33(22), 8733-8744. doi:10.1021/acs.chemmater.1c02751DOI: 10.1021/acs.chemmater.1c02751
Han, G., Vasylenko, A., Neale, A. R., Duff, B. B., Chen, R., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(43), 18216-18232. doi:10.1021/jacs.1c07874DOI: 10.1021/jacs.1c07874
Vasylenko, A., Gamon, J., Duff, B. B., Gusev, V. V., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry. NATURE COMMUNICATIONS, 12(1). doi:10.1038/s41467-021-25343-7DOI: 10.1038/s41467-021-25343-7
Shoko, E., Dang, Y., Han, G., Duff, B. B., Dyer, M. S., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Polymorph of LiAlP<sub>2</sub>O<sub>7</sub>: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study. INORGANIC CHEMISTRY, 60(18), 14083-14095. doi:10.1021/acs.inorgchem.1c01396DOI: 10.1021/acs.inorgchem.1c01396
Gibson, Q. D., Zhao, T., Daniels, L. M., Walker, H. C., Daou, R., Hebert, S., . . . Rosseinsky, M. J. (2021). Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch. SCIENCE, 373(6558), 1017-+. doi:10.1126/science.abh1619DOI: 10.1126/science.abh1619
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60(30), 16457-16465. doi:10.1002/anie.202102073DOI: 10.1002/anie.202102073
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. Angewandte Chemie, 133(30), 16593-16601. doi:10.1002/ange.202102073DOI: 10.1002/ange.202102073
Morscher, A., Dyer, M. S., Duff, B. B., Han, G., Gamon, J., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Li<sub>6</sub>SiO<sub>4</sub>Cl<sub>2</sub>: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking. CHEMISTRY OF MATERIALS, 33(6), 2206-2217. doi:10.1021/acs.chemmater.1c00157DOI: 10.1021/acs.chemmater.1c00157
Surta, T. W., Whittle, T. A., Wright, M. A., Niu, H., Gamon, J., Gibson, Q. D., . . . Rosseinsky, M. J. (2021). One Site, Two Cations, Three Environments: s2 and s0 Electronic Configurations Generate Pb-Free Relaxor Behavior in a Perovskite Oxide. Journal of the American Chemical Society. doi:10.1021/jacs.0c10572DOI: 10.1021/jacs.0c10572
2020
Zhao, T., Gibson, Q. D., Daniels, L. M., Slater, B., & Cora, F. (2020). Prediction of higher thermoelectric performance in BiCuSeO by weakening electron-polar optical phonon scattering. JOURNAL OF MATERIALS CHEMISTRY A, 8(47), 25245-25254. doi:10.1039/d0ta08839kDOI: 10.1039/d0ta08839k
Gamon, J., Perez, A. J., Jones, L. A. H., Zanella, M., Daniels, L. M., Morris, R. E., . . . Rosseinsky, M. J. (n.d.). Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries. Journal of Materials Chemistry A. doi:10.1039/d0ta07966aDOI: 10.1039/d0ta07966a
Zhao, T., Gibson, Q., Daniels, L., Slater, B., & Cora, F. (2020). Prediction of higher thermoelectric performance in BiOCuSe by weakening electron-polar optical phonon scattering. doi:10.21203/rs.3.rs-37817/v1DOI: 10.21203/rs.3.rs-37817/v1
Zhao, T., Daniels, L. M., Slater, B., Rosseinsky, M. J., & Cora, F. (2020). Effects of Octahedral Tilting on Band Structure and Thermoelectric Power Factor of Titanate Perovskites: A First-Principles Study on SrTiO3. Journal of Physical Chemistry C, 124(24), 13045-13052. doi:10.1021/acs.jpcc.0c03513DOI: 10.1021/acs.jpcc.0c03513
Hobson, T. D. C., Hutter, O. S., Fleck, N., Daniels, L. M., Major, J. D., Ng, T. M., & Durose, K. (2020). Vegard Relation and Raman Band Reference Data Generated from Bulk Crystals of Kesterite-Phase Composition Series Cu2ZnSnS4xSe4–4x (CZTSSe, 0 ≤ x ≤ 1). Crystal Growth & Design, 20(4), 2164-2173. doi:10.1021/acs.cgd.9b00911DOI: 10.1021/acs.cgd.9b00911
Li, M., Niu, H., Druce, J., Téllez, H., Ishihara, T., Kilner, J. A., . . . Rosseinsky, M. J. (2020). A CO2 -Tolerant Perovskite Oxide with High Oxide Ion and Electronic Conductivity.. Advanced Materials, 32(4). doi:10.1002/adma.201905200DOI: 10.1002/adma.201905200
2019
Gamon, J., Duff, B. B., Dyer, M. S., Collins, C., Daniels, L. M., Surta, T. W., . . . Rosseinsky, M. J. (2019). Computationally Guided Discovery of the Sulfide Li<sub>3</sub>AlS<sub>3</sub> in the Li-Al-S Phase Field: Structure and Lithium Conductivity. CHEMISTRY OF MATERIALS, 31(23), 9699-9714. doi:10.1021/acs.chemmater.9b03230DOI: 10.1021/acs.chemmater.9b03230
2018
Gibson, Q. D., Dyer, M. S., Robertson, C., Delacotte, C., Manning, T. D., Pitcher, M. J., . . . Rosseinsky, M. J. (2018). Bi<sub>2+2<i>n</i></sub>O<sub>2+2<i>n</i></sub>Cu<sub>2-δ</sub>Se<sub>2+<i>n</i>-δ</sub>X<sub>δ</sub> (X = CI, Br): A Three-Anion Homologous Series. INORGANIC CHEMISTRY, 57(20), 12489-12500. doi:10.1021/acs.inorgchem.8b01126DOI: 10.1021/acs.inorgchem.8b01126
A and B site doping of a phonon-glass perovskite oxide thermoelectric (Journal article)
Daniels, L. M., Ling, S., Savvin, S. N., Pitcher, M. J., Dyer, M. S., Claridge, J. B., . . . Rosseinsky, M. J. (2018). A and B site doping of a phonon-glass perovskite oxide thermoelectric. JOURNAL OF MATERIALS CHEMISTRY A, 6(32), 15640-15652. doi:10.1039/c8ta03739fDOI: 10.1039/c8ta03739f
2017
Barrow, M., Taylor, A., Fuentes-Caparros, A. M., Sharkey, J., Daniels, L. M., Mandal, P., . . . Adams, D. J. (2017). SPIONs for cell labelling and tracking using MRI: magnetite or maghemite?. BIOMATERIALS SCIENCE, 6(1), 101-106. doi:10.1039/c7bm00515fDOI: 10.1039/c7bm00515f
Daniels, L. M., Savvin, S. N., Pitcher, M. J., Dyer, M. S., Claridge, J. B., Ling, S., . . . Rosseinsky, M. J. (2017). Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides. ENERGY & ENVIRONMENTAL SCIENCE, 10(9), 1917-1922. doi:10.1039/c7ee01510kDOI: 10.1039/c7ee01510k
Structural Disorder in (Bi, M)<sub>2</sub>(Fe, Mn, Bi)<sub>2</sub>O<sub>6+x</sub> (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering (Journal article)
Daniels, L. M., Playford, H. Y., Hannon, A. C., & Walton, R. I. (2017). Structural Disorder in (Bi, M)<sub>2</sub>(Fe, Mn, Bi)<sub>2</sub>O<sub>6+x</sub> (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering. JOURNAL OF PHYSICAL CHEMISTRY C, 121(33), 18120-18128. doi:10.1021/acs.jpcc.7b04972DOI: 10.1021/acs.jpcc.7b04972
2016
Daniels, L. M., Kashtiban, R. J., Kepaptsoglou, D., Ramasse, Q. M., Sloan, J., & Walton, R. I. (2016). Local A-Site Layering in Rare-Earth Orthochromite Perovskites by Solution Synthesis. CHEMISTRY-A EUROPEAN JOURNAL, 22(51), 18362-18367. doi:10.1002/chem.201604766DOI: 10.1002/chem.201604766
La<sub>3</sub>Li<sub>3</sub>W<sub>2</sub>O<sub>12</sub>: Ionic Diffusion in a Perovskite with Lithium on both A- and 6-Sites (Journal article)
Santibanez-Mendieta, A. B., Didier, C., Inglis, K. K., Corkett, A. J., Pitcher, M. J., Zanella, M., . . . Rosseinsky, M. J. (2016). La<sub>3</sub>Li<sub>3</sub>W<sub>2</sub>O<sub>12</sub>: Ionic Diffusion in a Perovskite with Lithium on both A- and 6-Sites. CHEMISTRY OF MATERIALS, 28(21), 7833-7851. doi:10.1021/acs.chemmater.6b03220DOI: 10.1021/acs.chemmater.6b03220
2015
Metal Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-<i>N</i>-oxide Co-ligands (Journal article)
Munn, A. S., Amabilino, S., Stevens, T. W., Daniels, L. M., Clarkson, G. J., Millange, F., . . . Walton, R. I. (2015). Metal Organic Frameworks from Divalent Metals and 1,4-Benzenedicarboxylate with Bidentate Pyridine-<i>N</i>-oxide Co-ligands. CRYSTAL GROWTH & DESIGN, 15(2), 891-899. doi:10.1021/cg501690bDOI: 10.1021/cg501690b
2014
Metastable (Bi, M)<sub>2</sub>(Fe, Mn, Bi)<sub>2</sub>O<sub>6+x</sub> (M = Na or K) Pyrochlores from Hydrothermal Synthesis (Journal article)
Daniels, L. M., Playford, H. Y., Greneche, J. -M., Hannon, A. C., & Walton, R. I. (2014). Metastable (Bi, M)<sub>2</sub>(Fe, Mn, Bi)<sub>2</sub>O<sub>6+x</sub> (M = Na or K) Pyrochlores from Hydrothermal Synthesis. INORGANIC CHEMISTRY, 53(24), 13197-13206. doi:10.1021/ic502411zDOI: 10.1021/ic502411z
Mixed-Metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis Acid Catalysis and Tandem C-C Bond Formation and Alcohol Oxidation (Journal article)
Mitchell, L., Williamson, P., Ehrlichova, B., Anderson, A. E., Seymour, V. R., Ashbrook, S. E., . . . Wright, P. A. (2014). Mixed-Metal MIL-100(Sc,M) (M=Al, Cr, Fe) for Lewis Acid Catalysis and Tandem C-C Bond Formation and Alcohol Oxidation. CHEMISTRY-A EUROPEAN JOURNAL, 20(51), 17185-17197. doi:10.1002/chem.201404377DOI: 10.1002/chem.201404377
Synthesis, characterization and properties of a family of lead(II)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration rehydration behaviours (Journal article)
Zhang, K. -L., Zhong, Z. -Y., Zhang, L., Jing, C. -Y., Daniels, L. M., & Walton, R. I. (2014). Synthesis, characterization and properties of a family of lead(II)-organic frameworks based on a multi-functional ligand 2-amino-4-sulfobenzoic acid exhibiting auxiliary ligand-dependent dehydration rehydration behaviours. DALTON TRANSACTIONS, 43(30), 11597-11610. doi:10.1039/c4dt00659cDOI: 10.1039/c4dt00659c
2013
Structures and Magnetism of the Rare-Earth Orthochromite Perovskite Solid Solution La<i><sub>x</sub></i>Sm<sub>1-<i>x</i></sub>CrO<sub>3</sub> (Journal article)
Daniels, L. M., Weber, M. C., Lees, M. R., Guennou, M., Kashtiban, R. J., Sloan, J., . . . Walton, R. I. (2013). Structures and Magnetism of the Rare-Earth Orthochromite Perovskite Solid Solution La<i><sub>x</sub></i>Sm<sub>1-<i>x</i></sub>CrO<sub>3</sub>. INORGANIC CHEMISTRY, 52(20), 12161-12169. doi:10.1021/ic402029uDOI: 10.1021/ic402029u