Publications
2024
Navigation through high-dimensional chemical space: discovery of Ba<sub>5</sub>Y<sub>13</sub>[SiO<sub>4</sub>]<sub>8</sub>O<sub>8.5</sub> and Ba<sub>3</sub>Y<sub>2</sub>[Si<sub>2</sub>O<sub>7</sub>]<sub>2</sub>.
Gulay, N. L., Zanella, M., Robertson, C. M., Ritchie, D., Sonni, M., Wright, M. A., . . . Rosseinsky, M. J. (2024). Navigation through high-dimensional chemical space: discovery of Ba<sub>5</sub>Y<sub>13</sub>[SiO<sub>4</sub>]<sub>8</sub>O<sub>8.5</sub> and Ba<sub>3</sub>Y<sub>2</sub>[Si<sub>2</sub>O<sub>7</sub>]<sub>2</sub>.. Chemical science. doi:10.1039/d4sc04440a
Control of Polarity in Kagome-NiAs Bismuthides.
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), 63(23), e202403670. doi:10.1002/anie.202403670
Control of Polarity in Kagome‐NiAs Bismuthides
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.202403670
Synthesis, Structure, and Properties of CuBiSeCl<sub>2</sub>: A Chalcohalide Material with Low Thermal Conductivity.
Hawkins, C. J., Newnham, J. A., Almoussawi, B., Gulay, N. L., Goodwin, S. L., Zanella, M., . . . Rosseinsky, M. J. (2024). Synthesis, Structure, and Properties of CuBiSeCl<sub>2</sub>: A Chalcohalide Material with Low Thermal Conductivity.. Chemistry of materials : a publication of the American Chemical Society, 36(9), 4530-4541. doi:10.1021/acs.chemmater.4c00188
Accessing Mg‐Ion Storage in V2PS10 via Combined Cationic‐Anionic Redox with Selective Bond Cleavage
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.202400837
Accessing Mg-Ion Storage in V2PS10 via Combined Cationic-Anionic Redox with Selective Bond Cleavage.
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.202400837
Superionic lithium transport via multiple coordination environments defined by two-anion packing
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.adh5115
Synthesis, Structure &amp; Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity
2023
Synthesis, Structure &amp; Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity
Magnetic, electronic, and thermal properties of buckled kagome Fe3Ge2Sb
Gibson, Q. D., Daou, R., Zanella, M., Alaria, J., & Rosseinsky, M. J. (n.d.). Magnetic, electronic, and thermal properties of buckled kagome Fe3Ge2Sb. Physical Review B, 108(3). doi:10.1103/physrevb.108.035102
Fluorine-Rich Oxyfluoride Spinel-like Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability
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.2c00973
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
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.2c09863
Single crystal growth and properties of the polar ferromagnet Mn 1.05 Bi with Kagome layers, huge magnetic anisotropy and slow spin dynamics
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.6.114405
Fluorine-Rich Oxyfluoride Spinel Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability
Band Structure Engineering of Bi<sub>4</sub>O<sub>4</sub>SeCl<sub>2</sub> for Thermoelectric Applications
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.2c00018
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>
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.2022.123246
Enhanced Long-Term Cathode Stability by Tuning Interfacial Nanocomposite for Intermediate Temperature Solid Oxide Fuel Cells
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.202102131
2021
Chemical Control of the Dimensionality of the Octahedral Network of Solar Absorbers from the Cul-Agl-Bil<sub>3</sub> Phase Space by Synthesis of 3D CuAgBil<sub>5</sub>
Sansom, H. C., Buizza, L. R. V., Zanella, M., Gibbon, J. T., Pitcher, M. J., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Chemical Control of the Dimensionality of the Octahedral Network of Solar Absorbers from the Cul-Agl-Bil<sub>3</sub> Phase Space by Synthesis of 3D CuAgBil<sub>5</sub>. INORGANIC CHEMISTRY, 60(23), 18154-18167. doi:10.1021/acs.inorgchem.1c02773
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
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.1c02751
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability
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.1c07874
Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
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/s41467-021-25343-7
Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch
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.abh1619
Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning
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.202102073
Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning
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.202102073
High-throughput discovery of Hf promotion on the stabilisation of hcp Co and Fischer-Tropsch activity
Rupflin, L. A., Van Rensburg, H., Zanella, M., Carrington, E. J., Vismara, R., Grigoropoulos, A., . . . Rosseinsky, M. J. (2021). High-throughput discovery of Hf promotion on the stabilisation of hcp Co and Fischer-Tropsch activity. JOURNAL OF CATALYSIS, 396, 315-323. doi:10.1016/j.jcat.2021.02.022
Highly Absorbing Lead-Free Semiconductor Cu<sub>2</sub>AgBiI<sub>6</sub> for Photovoltaic Applications from the Quaternary CuI-AgI-BiI<sub>3</sub> Phase Space.
Sansom, H. C., Longo, G., Wright, A. D., Buizza, L. R. V., Mahesh, S., Wenger, B., . . . Rosseinsky, M. J. (2021). Highly Absorbing Lead-Free Semiconductor Cu<sub>2</sub>AgBiI<sub>6</sub> for Photovoltaic Applications from the Quaternary CuI-AgI-BiI<sub>3</sub> Phase Space.. Journal of the American Chemical Society, 143(10), 3983-3992. doi:10.1021/jacs.1c00495
One Site, Two Cations, Three Environments: s2 and s0 Electronic Configurations Generate Pb-Free Relaxor Behavior in a Perovskite Oxide
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.0c10572
2020
High-Throughput Discovery of Hf Promotion on the Formation of Hcp Co and Fischer-Tropsch Activity
High-Throughput Discovery of Hf Promotion on the Formation of Hcp Co and Fischer-Tropsch Activity
Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries
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/d0ta07966a
High-Throughput Discovery of Hf Promotion on the Formation of Hcp Co and Fischer-Tropsch Activity
Alvarado Rupflin, L., Van Rensberg, H., Zanella, M., Carrington, E. J., Grigoropoulos, A., Manning, T., . . . Rosseinsky, M. J. (2020). High-Throughput Discovery of Hf Promotion on the Formation of Hcp Co and Fischer-Tropsch Activity. doi:10.26434/chemrxiv.12933683.v1
Crystal Structure and Stoichiometric Composition of Potassium-Intercalated Tetracene
Hiley, C. I., Inglis, K. K., Zanella, M., Zhang, J., Manning, T. D., Dyer, M. S., . . . Rosseinsky, M. J. (2020). Crystal Structure and Stoichiometric Composition of Potassium-Intercalated Tetracene. INORGANIC CHEMISTRY, 59(17), 12545-12551. doi:10.1021/acs.inorgchem.0c01635
A CO2 -Tolerant Perovskite Oxide with High Oxide Ion and Electronic Conductivity.
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.201905200
Modular design via multiple anion chemistry of the high mobility van der Waals semiconductor Bi4O4SeCl2
Gibson, Q. D., Manning, T. D., Zanella, M., Zhao, T., Murgatroyd, P. J., Robertson, C. M., . . . Rosseinsky, M. J. (2020). Modular design via multiple anion chemistry of the high mobility van der Waals semiconductor Bi4O4SeCl2. Journal of the American Chemical Society, 142(02), 847-856. doi:10.1021/jacs.9b09411
2019
Detection and Crystal Structure of Hydrogenated Bipentacene as an Intermediate in Thermally Induced Pentacene Oligomerization
Hiley, C. I., Whitehead, G. F. S., Zanella, M., Delacotte, C., Manning, T. D., & Rosseinsky, M. J. (2019). Detection and Crystal Structure of Hydrogenated Bipentacene as an Intermediate in Thermally Induced Pentacene Oligomerization. JOURNAL OF ORGANIC CHEMISTRY, 84(13), 8481-8486. doi:10.1021/acs.joc.9b00671
Selective conversion of 5-hydroxymethylfurfural to diketone derivatives over Beta zeolite-supported Pd catalysts in water
Ramos, R., Grigoropoulos, A., Griffiths, B. L., Katsoulidis, A. P., Zanella, M., Manning, T. D., . . . Rosseinsky, M. J. (2019). Selective conversion of 5-hydroxymethylfurfural to diketone derivatives over Beta zeolite-supported Pd catalysts in water. JOURNAL OF CATALYSIS, 375, 224-233. doi:10.1016/j.jcat.2019.04.038
Stabilization of O-O Bonds by d(0) Cations in Li4+xNi1-xWO6 (0 <= x <= 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis
Taylor, Z. N., Perez, A. J., Coca-Clemente, J. A., Braga, F., Drewett, N. E., Pitcher, M. J., . . . Rosseinsky, M. J. (2019). Stabilization of O-O Bonds by d(0) Cations in Li4+xNi1-xWO6 (0 <= x <= 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(18), 7333-7346. doi:10.1021/jacs.8b13633
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
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.8b01126
2017
Bi4O4Cu1.7Se2.7Cl0.3: an intergrowth of BiOCuSe and Bi2O2Se stabilized by the addition of a third anion
Gibson, Q. D., Dyer, M. S., Whitehead, G. F. S., Alaria, J., Pitcher, M. J., Edwards, H. J., . . . Rosseinsky, M. J. (2017). Bi4O4Cu1.7Se2.7Cl0.3: an intergrowth of BiOCuSe and Bi2O2Se stabilized by the addition of a third anion. Journal of the American Chemical Society, 139(44), 15568-15571. doi:10.1021/jacs.7b06168
Accelerated discovery of two crystal structure types in a complex inorganic phase field
Collins, C., Dyer, M. S., Pitcher, M. J., Whitehead, G. F. S., Zanella, M., Mandal, P., . . . Rosseinsky, M. J. (2017). Accelerated discovery of two crystal structure types in a complex inorganic phase field. Nature, 546(7657), 280-284. doi:10.1038/nature22374
Selective conversion of 5-hydroxymethylfurfural to cyclopentanone derivatives over Cu-Al2O3 and Co-Al2O3 catalysts in water
Ramos, R., Grigoropoulos, A., Perret, N., Zanella, M., Katsoulidis, A. P., Manning, T. D., . . . Rosseinsky, M. J. (2017). Selective conversion of 5-hydroxymethylfurfural to cyclopentanone derivatives over Cu-Al2O3 and Co-Al2O3 catalysts in water. Green Chemistry, 19(7), 1701-1713. doi:10.1039/c7gc00315c
AgBiI<sub>4</sub> as a Lead-Free Solar Absorber with Potential Application in Photovoltaics
Sansom, H. C., Whitehead, G. F. S., Dyer, M. S., Zanella, M., Manning, T. D., Pitcher, M. J., . . . Rosseinsky, M. J. (2017). AgBiI<sub>4</sub> as a Lead-Free Solar Absorber with Potential Application in Photovoltaics. CHEMISTRY OF MATERIALS, 29(4), 1538-1549. doi:10.1021/acs.chemmater.6b04135
Room Temperature Magnetically Ordered Polar Corundum GaFeO<sub>3</sub> Displaying Magnetoelectric Coupling
Niu, H., Pitcher, M. J., Corkett, A. J., Ling, S., Mandal, P., Zanella, M., . . . Rosseinsky, M. J. (2017). Room Temperature Magnetically Ordered Polar Corundum GaFeO<sub>3</sub> Displaying Magnetoelectric Coupling. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139(4), 1520-1531. doi:10.1021/jacs.6b11128
Self-assembled dynamic perovskite composite cathodes for intermediate temperature solid oxide fuel cells
Shin, J. F., Xu, W., Zanella, M., Dawson, K., Savvin, S. N., Claridge, J. B., & Rosseinsky, M. J. (2017). Self-assembled dynamic perovskite composite cathodes for intermediate temperature solid oxide fuel cells. NATURE ENERGY, 2(03). doi:10.1038/nenergy.2016.214
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
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.6b03220
Controlling Phase Assemblage in a Complex Multi‐Cation System: Phase‐Pure Room Temperature Multiferroic (1−x)BiTi(1−y)/2FeyMg(1−y)/2O3–xCaTiO3
Mandal, P., Pitcher, M. J., Alaria, J., Niu, H., Zanella, M., Claridge, J. B., & Rosseinsky, M. J. (2016). Controlling Phase Assemblage in a Complex Multi‐Cation System: Phase‐Pure Room Temperature Multiferroic (1−x)BiTi(1−y)/2FeyMg(1−y)/2O3–xCaTiO3. ADVANCED FUNCTIONAL MATERIALS, 26(15), 2523-2531. doi:10.1002/adfm.201504911
Catalytic Response and Stability of Nickel/Alumina for the Hydrogenation of 5-Hydroxymethylfurfural in Water
Perret, N., Grigoropoulos, A., Zanella, M., Manning, T. D., Claridge, J. B., & Rosseinsky, M. J. (2016). Catalytic Response and Stability of Nickel/Alumina for the Hydrogenation of 5-Hydroxymethylfurfural in Water. CHEMSUSCHEM, 9(5), 521-531. doi:10.1002/cssc.201501225
2015
Twofold role of Hexadecyltrimethylammonium Bromide in photochemical synthesis of gold nanorods
Toussi, S. M., Zanella, M., Abdelrasoul, G. N., Athanassiou, A., & Pignatelli, F. (2015). Twofold role of Hexadecyltrimethylammonium Bromide in photochemical synthesis of gold nanorods. Journal of Photochemistry and Photobiology A: Chemistry, 311, 76-84. doi:10.1016/j.jphotochem.2015.06.015
Morphotropic Phase Boundary in the Pb‐Free (1 − x )BiTi3/8Fe2/8Mg3/8O3–x CaTiO3 System: Tetragonal Polarization and Enhanced Electromechanical Properties
Mandal, P., Manjón-Sanz, A., Corkett, A. J., Comyn, T. P., Dawson, K., Stevenson, T., . . . Rosseinsky, M. (2015). Morphotropic Phase Boundary in the Pb‐Free (1 − x )BiTi3/8Fe2/8Mg3/8O3–x CaTiO3 System: Tetragonal Polarization and Enhanced Electromechanical Properties. Advanced Materials, 27(18), 2883-2889. doi:10.1002/adma.201405452