Photo of Dr Michael Gaultois

Dr Michael Gaultois

Research Fellow, Leverhulme Centre for Functional Material Design Chemistry

Publications

2021

Sb-5s lone pair dynamics and collinear magnetic ordering in Ba2FeSbSe5 (Journal article)

Maier, S., Gaultois, M. W., Matsubara, N., Surta, W., Damay, F., Hebert, S., . . . Gascoin, F. (2021). Sb-5s lone pair dynamics and collinear magnetic ordering in Ba2FeSbSe5. PHYSICAL REVIEW B, 103(5). doi:10.1103/PhysRevB.103.054115

DOI: 10.1103/PhysRevB.103.054115

Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds (Journal article)

Murgatroyd, P. A. E., Routledge, K., Durdy, S., Gaultois, M. W., Surta, T. W., Dyer, M. S., . . . Alaria, J. (2021). Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds. ADVANCED FUNCTIONAL MATERIALS. doi:10.1002/adfm.202100108

DOI: 10.1002/adfm.202100108

One class classification as a practical approach for accelerating p–p co-crystal discovery (Journal article)

Vriza, A., Canaj, A. B., Vismara, R., Kershaw Cook, L. J., Manning, T. D., Gaultois, M. W., . . . Rosseinsky, M. J. (n.d.). One class classification as a practical approach for accelerating p–p co-crystal discovery. Chemical Science. doi:10.1039/d0sc04263c

DOI: 10.1039/d0sc04263c

2020

The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions (Journal article)

Hargreaves, C. J., Dyer, M. S., Gaultois, M. W., Kurlin, V. A., & Rosseinsky, M. J. (2020). The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions. Chemistry of Materials, 32(24), 10610-10620. doi:10.1021/acs.chemmater.0c03381

DOI: 10.1021/acs.chemmater.0c03381

Fermi Surface Geometry (Journal article)

Derunova, E., Gayles, J., Sun, Y., Gaultois, M. W., & Ali, M. N. (n.d.). Fermi Surface Geometry. Retrieved from http://arxiv.org/abs/2007.05525v2

Tracking the evolution of a single composite particle during redox cycling for application in H-2 production (Journal article)

Neagu, D., Papaioannou, E. I., Tjaden, B., Lu, X., Mak, C. -M., Gaultois, M. W., . . . Metcalfe, I. S. (2020). Tracking the evolution of a single composite particle during redox cycling for application in H-2 production. Scientific Reports, 10(1). doi:10.1038/s41598-020-62237-y

DOI: 10.1038/s41598-020-62237-y

Evidence of Cosmic Impact at Abu Hureyra, Syria at the Younger Dryas Onset (similar to 12.8 ka): High-temperature melting at > 2200 degrees C (Journal article)

Moore, A. M. T., Kennett, J. P., Napier, W. M., Bunch, T. E., Weaver, J. C., LeCompte, M., . . . West, A. (2020). Evidence of Cosmic Impact at Abu Hureyra, Syria at the Younger Dryas Onset (similar to 12.8 ka): High-temperature melting at > 2200 degrees C. SCIENTIFIC REPORTS, 10(1). doi:10.1038/s41598-020-60867-w

DOI: 10.1038/s41598-020-60867-w

2019

Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li-Al-S Phase Field: Structure and Lithium Conductivity (Journal article)

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 Li3AlS3 in the Li-Al-S Phase Field: Structure and Lithium Conductivity. CHEMISTRY OF MATERIALS, 31(23), 9699-9714. doi:10.1021/acs.chemmater.9b03230

DOI: 10.1021/acs.chemmater.9b03230

Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A(2)Ru(2)O(7) pyrochlores (Journal article)

Laurita, G., Puggioni, D., Hickox-Young, D., Rondinelli, J. M., Gaultois, M. W., Page, K., . . . Seshadri, R. (2019). Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A(2)Ru(2)O(7) pyrochlores. PHYSICAL REVIEW MATERIALS, 3(9). doi:10.1103/PhysRevMaterials.3.095003

DOI: 10.1103/PhysRevMaterials.3.095003

Unlocking the key to persistent luminescence with X-ray absorption spectroscopy: a local structure investigation of Cr-substituted spinel-type phosphors (Journal article)

Finley, E., Gaultois, M. W., & Brgoch, J. (2019). Unlocking the key to persistent luminescence with X-ray absorption spectroscopy: a local structure investigation of Cr-substituted spinel-type phosphors. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 21(35), 19349-19358. doi:10.1039/c9cp02655j

DOI: 10.1039/c9cp02655j

When do Anisotropic Magnetic Susceptibilities Lead to Large NMR Shifts? Exploring Particle Shape Effects in the Battery Electrode Material LiFePO4. (Journal article)

Pigliapochi, R., O'Brien, L., Pell, A. J., Gaultois, M. W., Janssen, Y., Khalifah, P., & Grey, C. P. (2019). When do Anisotropic Magnetic Susceptibilities Lead to Large NMR Shifts? Exploring Particle Shape Effects in the Battery Electrode Material LiFePO4.. Journal of the American Chemical Society, 141(33), 13089-13100. doi:10.1021/jacs.9b04674

DOI: 10.1021/jacs.9b04674

High-temperature structure of Co3O4: Understanding spinel inversion using in situ and ex situ measurements (Journal article)

Sparks, T. D., Gurlo, A., Bekheet, M. F., Gaultois, M. W., Cherkashinin, G., Laversenne, L., & Clarke, D. R. (2019). High-temperature structure of Co3O4: Understanding spinel inversion using in situ and ex situ measurements. PHYSICAL REVIEW B, 99(10). doi:10.1103/PhysRevB.99.104104

DOI: 10.1103/PhysRevB.99.104104

Mechanical properties of the ferroelectric metal-free perovskite [MDABCO](NH4)I-3 (Journal article)

Ehrenreich, M. G., Zeng, Z., Burger, S., Warren, M. R., Gaultois, M. W., Tan, J. -C., & Kieslich, G. (2019). Mechanical properties of the ferroelectric metal-free perovskite [MDABCO](NH4)I-3. CHEMICAL COMMUNICATIONS, 55(27), 3911-3914. doi:10.1039/c9cc00580c

DOI: 10.1039/c9cc00580c

Control of Metal-Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species (Journal article)

Yeung, H. H. -M., Sapnik, A. F., Massingberd-Mundy, F., Gaultois, M. W., Wu, Y., Fraser, D. A. X., . . . Goodwin, A. L. (2019). Control of Metal-Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 58(2), 566-571. doi:10.1002/anie.201810039

DOI: 10.1002/anie.201810039

2018

Control of Metal–Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species (Journal article)

Yeung, H. H., Sapnik, A. F., Massingberd-Mundy, F., Gaultois, M. W., Wu, Y., Fraser, D. A. X., . . . Goodwin, A. L. (n.d.). Control of Metal–Organic Framework Crystallization by Metastable Intermediate Pre-equilibrium Species. Angewandte Chemie. doi:10.1002/ange.201810039

DOI: 10.1002/ange.201810039

Interface Instability in LiFePO4-Li3+xP1-xSixO4 All-Solid-State Batteries (Journal article)

Groh, M. F., Sullivan, M. J., Gaultois, M. W., Pecher, O., Griffith, K. J., & Grey, C. P. (2018). Interface Instability in LiFePO4-Li3+xP1-xSixO4 All-Solid-State Batteries. CHEMISTRY OF MATERIALS, 30(17), 5886-5895. doi:10.1021/acs.chemmater.8b01746

DOI: 10.1021/acs.chemmater.8b01746

A high temperature gas flow environment for neutron total scattering studies of complex materials (Journal article)

Olds, D., Mills, R. A., McDonnell, M. T., Liu, J., Kim, J. R., Dunstan, M. T., . . . Page, K. (2018). A high temperature gas flow environment for neutron total scattering studies of complex materials. REVIEW OF SCIENTIFIC INSTRUMENTS, 89(9). doi:10.1063/1.5033464

DOI: 10.1063/1.5033464

Spectroscopic characterization of lithium thiophosphates by XPS and XAS - a model to help monitor interfacial reactions in all-solid-state batteries (Journal article)

Dietrich, C., Koerver, R., Gaultois, M. W., Kieslich, G., Cibin, G., Janek, J., & Zeier, W. G. (2018). Spectroscopic characterization of lithium thiophosphates by XPS and XAS - a model to help monitor interfacial reactions in all-solid-state batteries. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20(30), 20088-20095. doi:10.1039/c8cp01968a

DOI: 10.1039/c8cp01968a

Mixed X-Site Formate-Hypophosphite Hybrid Perovskites (Journal article)

Wu, Y., Halat, D. M., Wei, F., Binford, T., Seymour, I. D., Gaultois, M. W., . . . Cheetham, A. K. (2018). Mixed X-Site Formate-Hypophosphite Hybrid Perovskites. CHEMISTRY-A EUROPEAN JOURNAL, 24(44), 11309-11313. doi:10.1002/chem.201803061

DOI: 10.1002/chem.201803061

The use of strontium ferrite in chemical looping systems (Journal article)

Marek, E., Hu, W., Gaultois, M., Grey, C. P., & Scott, S. A. (2018). The use of strontium ferrite in chemical looping systems. APPLIED ENERGY, 223, 369-382. doi:10.1016/j.apenergy.2018.04.090

DOI: 10.1016/j.apenergy.2018.04.090

Revised model for thermopower and site inversion in Co3O4 spinel (Journal article)

Sparks, T. D., Gurlo, A., Gaultois, M. W., & Clarke, D. R. (n.d.). Revised model for thermopower and site inversion in Co3O4 spinel. Physical Review B, 98(2). doi:10.1103/physrevb.98.024108

DOI: 10.1103/physrevb.98.024108

Revised model for thermopower and site inversion in Co3O4 spinel (Journal article)

Sparks, T. D., Gurlo, A., Gaultois, M. W., & Clarke, D. R. (2018). Revised model for thermopower and site inversion in Co3O4 spinel. PHYSICAL REVIEW B, 98(2). doi:10.1103/PhysRevB.98.024108;024108

DOI: 10.1103/PhysRevB.98.024108;024108

Study of Defect Chemistry in the System La2-xSrxNiO4+delta by O-17 Solid-State NMR Spectroscopy and Ni K-Edge XANES (Journal article)

Halat, D. M., Dunstan, M. T., Gaultois, M. W., Britto, S., & Grey, C. P. (2018). Study of Defect Chemistry in the System La2-xSrxNiO4+delta by O-17 Solid-State NMR Spectroscopy and Ni K-Edge XANES. CHEMISTRY OF MATERIALS, 30(14), 4556-4570. doi:10.1021/acs.chemmater.8b00747

DOI: 10.1021/acs.chemmater.8b00747

Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf-In System (Journal article)

Oliynyk, A. O., Gaultois, M. W., Hermus, M., Morris, A. J., Mar, A., & Brgoch, J. (2018). Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf-In System. INORGANIC CHEMISTRY, 57(13), 7966-7974. doi:10.1021/acs.inorgchem.8b01122

DOI: 10.1021/acs.inorgchem.8b01122

Low-dimensional quantum magnetism in Cu(NCS)(2): A molecular framework material (Journal article)

Cliffe, M. J., Lee, J., Paddison, J. A. M., Schott, S., Mukherjee, P., Gaultois, M. W., . . . Grey, C. P. (2018). Low-dimensional quantum magnetism in Cu(NCS)(2): A molecular framework material. PHYSICAL REVIEW B, 97(14). doi:10.1103/PhysRevB.97.144421

DOI: 10.1103/PhysRevB.97.144421

Screening and Characterization of Ternary Oxides for High-Temperature Carbon Capture (Journal article)

Gaultois, M. W., Dunstan, M. T., Bateson, A. W., Chan, M. S. C., & Grey, C. P. (2018). Screening and Characterization of Ternary Oxides for High-Temperature Carbon Capture. CHEMISTRY OF MATERIALS, 30(8), 2535-2543. doi:10.1021/acs.chemmater.7b04679

DOI: 10.1021/acs.chemmater.7b04679

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K (Journal article)

Mondal, A., Gaultois, M. W., Pell, A. J., Iannuzzi, M., Grey, C. P., Hutter, J., & Kaupp, M. (2018). Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14(1), 377-394. doi:10.1021/acs.jctc.7b00991

DOI: 10.1021/acs.jctc.7b00991

2017

Understanding the links between composition, polyhedral distortion, and luminescence properties in green-emitting beta-Si6-zAlzOzN8-z:Eu2+ phosphors (Journal article)

Cozzan, C., Laurita, G., Gaultois, M. W., Cohen, M., Mikhailovsky, A. A., Balasubramanian, M., & Seshadri, R. (2017). Understanding the links between composition, polyhedral distortion, and luminescence properties in green-emitting beta-Si6-zAlzOzN8-z:Eu2+ phosphors. JOURNAL OF MATERIALS CHEMISTRY C, 5(38), 10039-10046. doi:10.1039/c7tc03039h

DOI: 10.1039/c7tc03039h

Ion Dynamics and CO2 Absorption Properties of Nb-, Ta-, and Y-Doped Li2ZrO3 Studied by Solid-State NMR, Thermogravimetry, and First-Principles Calculations (Journal article)

Dunstan, M. T., Schlogelhofer, H. L., Griffin, J. M., Dyer, M. S., Gaultois, M. W., Lau, C. Y., . . . Grey, C. P. (2017). Ion Dynamics and CO2 Absorption Properties of Nb-, Ta-, and Y-Doped Li2ZrO3 Studied by Solid-State NMR, Thermogravimetry, and First-Principles Calculations. JOURNAL OF PHYSICAL CHEMISTRY C, 121(40), 21877-21886. doi:10.1021/acs.jpcc.7b05888

DOI: 10.1021/acs.jpcc.7b05888

Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13 (Journal article)

Meng, W., Pigliapochi, R., Bayley, P. M., Pecher, O., Gaultois, M. W., Seymour, I. D., . . . Grey, C. P. (2017). Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13. CHEMISTRY OF MATERIALS, 29(13), 5513-5524. doi:10.1021/acs.chemmater.7b00428

DOI: 10.1021/acs.chemmater.7b00428

Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study (Journal article)

Sun, S., Deng, Z., Wu, Y., Wei, F., Isikgor, F. H., Brivio, F., . . . Kieslich, G. (2017). Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study. CHEMICAL COMMUNICATIONS, 53(54), 7537-7540. doi:10.1039/c7cc00995j

DOI: 10.1039/c7cc00995j

Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Framework (Journal article)

Cliffe, M. J., Castillo-Martinez, E., Wu, Y., Lee, J., Forse, A. C., Firth, F. C. N., . . . Grey, C. P. (2017). Metal-Organic Nanosheets Formed via Defect-Mediated Transformation of a Hafnium Metal-Organic Framework. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 139(15), 5397-5404. doi:10.1021/jacs.7b00106

DOI: 10.1021/jacs.7b00106

2016

High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds (Journal article)

Oliynyk, A. O., Antono, E., Sparks, T. D., Ghadbeigi, L., Gaultois, M. W., Meredig, B., & Mar, A. (2016). High-Throughput Machine-Learning-Driven Synthesis of Full-Heusler Compounds. CHEMISTRY OF MATERIALS, 28(20), 7324-7331. doi:10.1021/acs.chemmater.6b02724

DOI: 10.1021/acs.chemmater.6b02724

In situ studies of materials for high temperature CO2 capture and storage (Journal article)

Dunstan, M. T., Maugeri, S. A., Liu, W., Tucker, M. G., Taiwo, O. O., Gonzalez, B., . . . Grey, C. P. (2016). In situ studies of materials for high temperature CO2 capture and storage. FARADAY DISCUSSIONS, 192, 217-240. doi:10.1039/c6fd00047a

DOI: 10.1039/c6fd00047a

Gd12Co5.3Bi and Gd12Co5Bi, Crystalline Doppelganger with Low Thermal Conductivities (Journal article)

Oliynyk, A. O., Sparks, T. D., Gaultois, M. W., Ghadbeigi, L., & Mar, A. (2016). Gd12Co5.3Bi and Gd12Co5Bi, Crystalline Doppelganger with Low Thermal Conductivities. INORGANIC CHEMISTRY, 55(13), 6625-6633. doi:10.1021/acs.inorgchem.6b00826

DOI: 10.1021/acs.inorgchem.6b00826

High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2 (Journal article)

Lamontagne, L. K., Laurita, G., Gaultois, M. W., Knight, M., Ghadbeigi, L., Sparks, T. D., . . . Seshadri, R. (2016). High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO2. CHEMISTRY OF MATERIALS, 28(10), 3367-3373. doi:10.1021/acs.chemmater.6b00447

DOI: 10.1021/acs.chemmater.6b00447

Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties (Journal article)

Gaultois, M. W., Oliynyk, A. O., Mar, A., Sparks, T. D., Mulholland, G. J., & Meredig, B. (2016). Perspective: Web-based machine learning models for real-time screening of thermoelectric materials properties. APL MATERIALS, 4(5). doi:10.1063/1.4952607

DOI: 10.1063/1.4952607

Data mining our way to the next generation of thermoelectrics (Journal article)

Sparks, T. D., Gaultois, M. W., Oliynyk, A., Brgoch, J., & Meredig, B. (2016). Data mining our way to the next generation of thermoelectrics. SCRIPTA MATERIALIA, 111, 10-15. doi:10.1016/j.scriptamat.2015.04.026

DOI: 10.1016/j.scriptamat.2015.04.026

2015

Single-step preparation and consolidation of reduced early-transition-metal oxide/metal n-type thermoelectric composites (Journal article)

Gaultois, M. W., Douglas, J. E., Sparks, T. D., & Seshadri, R. (2015). Single-step preparation and consolidation of reduced early-transition-metal oxide/metal n-type thermoelectric composites. AIP ADVANCES, 5(9). doi:10.1063/1.4931161

DOI: 10.1063/1.4931161

Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts (Journal article)

Denault, K. A., Brgoch, J., Kloss, S. D., Gaultois, M. W., Siewenie, J., Page, K., & Seshadri, R. (2015). Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. ACS APPLIED MATERIALS & INTERFACES, 7(13), 7264-7272. doi:10.1021/acsami.5b00445

DOI: 10.1021/acsami.5b00445

Rapid preparation and magnetodielectric properties of trirutile Cr2WO6 (Journal article)

Gaultois, M. W., Kemei, M. C., Harada, J. K., & Seshadri, R. (2015). Rapid preparation and magnetodielectric properties of trirutile Cr2WO6. JOURNAL OF APPLIED PHYSICS, 117(1). doi:10.1063/1.4905486

DOI: 10.1063/1.4905486

2014

Local structure and structural rigidity of the green phosphor beta-SiAlON:Eu2+ (Journal article)

Brgoch, J., Gaultois, M. W., Balasubramanian, M., Page, K., Hong, B. -C., & Seshadri, R. (2014). Local structure and structural rigidity of the green phosphor beta-SiAlON:Eu2+. APPLIED PHYSICS LETTERS, 105(18). doi:10.1063/1.4901104

DOI: 10.1063/1.4901104

Enhanced thermoelectric properties of the n-type Magneli phase WO2.90: reduced thermal conductivity through microstructure engineering (Journal article)

Kieslich, G., Burkhardt, U., Birkel, C. S., Veremchuk, I., Douglas, J. E., Gaultois, M. W., . . . Tremel, W. (2014). Enhanced thermoelectric properties of the n-type Magneli phase WO2.90: reduced thermal conductivity through microstructure engineering. JOURNAL OF MATERIALS CHEMISTRY A, 2(33), 13492-13497. doi:10.1039/c4ta01395f

DOI: 10.1039/c4ta01395f

Structural distortion below the Neel temperature in spinel GeCo2O4 (Journal article)

Barton, P. T., Kemei, M. C., Gaultois, M. W., Moffitt, S. L., Darago, L. E., Seshadri, R., . . . Melot, B. C. (2014). Structural distortion below the Neel temperature in spinel GeCo2O4. PHYSICAL REVIEW B, 90(6). doi:10.1103/PhysRevB.90.064105

DOI: 10.1103/PhysRevB.90.064105

Magnetic structure in epitaxially strained Sr2CrReO6 thin films by element-specific XAS and XMCD (Journal article)

Hauser, A. J., Lucy, J. M., Gaultois, M. W., Ball, M. R., Soliz, J. R., Choi, Y., . . . Yang, F. (2014). Magnetic structure in epitaxially strained Sr2CrReO6 thin films by element-specific XAS and XMCD. PHYSICAL REVIEW B, 89(18). doi:10.1103/PhysRevB.89.180402

DOI: 10.1103/PhysRevB.89.180402

Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in SrxBa2-xSiO4:Eu2+ Orthosilicate Phosphors (Journal article)

Denault, K. A., Brgoch, J., Gaultois, M. W., Mikhailovsky, A., Petry, R., Winkler, H., . . . Seshadri, R. (2014). Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in SrxBa2-xSiO4:Eu2+ Orthosilicate Phosphors. CHEMISTRY OF MATERIALS, 26(7), 2275-2282. doi:10.1021/cm500116u

DOI: 10.1021/cm500116u

How much improvement in thermoelectric performance can come from reducing thermal conductivity? (Journal article)

Gaultois, M. W., & Sparks, T. D. (2014). How much improvement in thermoelectric performance can come from reducing thermal conductivity?. APPLIED PHYSICS LETTERS, 104(11). doi:10.1063/1.4869232

DOI: 10.1063/1.4869232

2013

SPS-assisted preparation of the Magneli phase WO2.90 for thermoelectric applications (Journal article)

Kieslich, G., Birkel, C. S., Douglas, J. E., Gaultois, M., Veremchuk, I., Seshadri, R., . . . Tremel, W. (2013). SPS-assisted preparation of the Magneli phase WO2.90 for thermoelectric applications. JOURNAL OF MATERIALS CHEMISTRY A, 1(42), 13050-13054. doi:10.1039/c3ta12145c

DOI: 10.1039/c3ta12145c

Crystal structures of spin-Jahn-Teller-ordered MgCr2O4 and ZnCr2O4 (Journal article)

Kemei, M. C., Barton, P. T., Moffitt, S. L., Gaultois, M. W., Kurzman, J. A., Seshadri, R., . . . Kim, Y. -I. (2013). Crystal structures of spin-Jahn-Teller-ordered MgCr2O4 and ZnCr2O4. JOURNAL OF PHYSICS-CONDENSED MATTER, 25(32). doi:10.1088/0953-8984/25/32/326001

DOI: 10.1088/0953-8984/25/32/326001

Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations (Journal article)

Gaultois, M. W., Sparks, T. D., Borg, C. K. H., Seshadri, R., Bonificio, W. D., & Clarke, D. R. (2013). Data-Driven Review of Thermoelectric Materials: Performance and Resource Considerations. CHEMISTRY OF MATERIALS, 25(15), 2911-2920. doi:10.1021/cm400893e

DOI: 10.1021/cm400893e

A case for oxygen deficiency in Gd2Ti2-xZrxO7 pyrochlore-type oxides (Journal article)

Walker, J. D. S., Hayes, J. R., Gaultois, M. W., Aluri, E. R., & Grosvenor, A. P. (2013). A case for oxygen deficiency in Gd2Ti2-xZrxO7 pyrochlore-type oxides. JOURNAL OF ALLOYS AND COMPOUNDS, 565, 44-49. doi:10.1016/j.jallcom.2013.02.152

DOI: 10.1016/j.jallcom.2013.02.152

Structural disorder, magnetism, and electrical and thermoelectric properties of pyrochlore Nd2Ru2O7 (Journal article)

Gaultois, M. W., Barton, P. T., Birkel, C. S., Misch, L. M., Rodriguez, E. E., Stucky, G. D., & Seshadri, R. (2013). Structural disorder, magnetism, and electrical and thermoelectric properties of pyrochlore Nd2Ru2O7. JOURNAL OF PHYSICS-CONDENSED MATTER, 25(18). doi:10.1088/0953-8984/25/18/186004

DOI: 10.1088/0953-8984/25/18/186004

2012

How temperature influences the stoichiometry of CeTi2O6 (Journal article)

Huynh, L. T., Eger, S. B., Walker, J. D. S., Hayes, J. R., Gaultois, M. W., & Grosvenor, A. P. (2012). How temperature influences the stoichiometry of CeTi2O6. SOLID STATE SCIENCES, 14(6), 761-767. doi:10.1016/j.solidstatesciences.2012.03.030

DOI: 10.1016/j.solidstatesciences.2012.03.030

XANES and XPS investigations of the local structure and final-state effects in amorphous metal silicates: (ZrO2)(x)(TiO2)(y)(SiO2)(1-x-y) (Journal article)

Gaultois, M. W., & Grosvenor, A. P. (2012). XANES and XPS investigations of the local structure and final-state effects in amorphous metal silicates: (ZrO2)(x)(TiO2)(y)(SiO2)(1-x-y). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14(1), 205-217. doi:10.1039/c1cp22717c

DOI: 10.1039/c1cp22717c

2011

Determining the effect of Ru substitution on the thermal stability of CeFe4-xRuxSb12 (Journal article)

Sigrist, J. A., Walker, J. D. S., Hayes, J. R., Gaultois, M. W., & Grosvenor, A. P. (2011). Determining the effect of Ru substitution on the thermal stability of CeFe4-xRuxSb12. SOLID STATE SCIENCES, 13(11), 2041-2048. doi:10.1016/j.solidstatesciences.2011.09.008

DOI: 10.1016/j.solidstatesciences.2011.09.008

Rare-Earth Cobalt Gallides RE4Co3Ga16 (RE = Gd-Er, Y): Self-Interstitial Derivatives of RE2CoGa8 (Journal article)

Slater, B. R., Bie, H., Gaultois, M. W., Stoyko, S. S., & Mar, A. (2011). Rare-Earth Cobalt Gallides RE4Co3Ga16 (RE = Gd-Er, Y): Self-Interstitial Derivatives of RE2CoGa8. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, (26), 3896-3903. doi:10.1002/ejic.201100283

DOI: 10.1002/ejic.201100283

On the Oxidation of EuFe4Sb12 and EuRu(4)Sb12 (Journal article)

Peddle, J. M., Gaultois, M. W., & Grosvenor, A. P. (2011). On the Oxidation of EuFe4Sb12 and EuRu(4)Sb12. INORGANIC CHEMISTRY, 50(13), 6263-6268. doi:10.1021/ic200619c

DOI: 10.1021/ic200619c

Investigation of coordination changes in substituted transition-metal oxides by K-edge XANES: Beyond the pre-edge (Journal article)

Gaultois, M. W., Greedan, J. E., & Grosvenor, A. P. (2011). Investigation of coordination changes in substituted transition-metal oxides by K-edge XANES: Beyond the pre-edge. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 184(3-6), 192-195. doi:10.1016/j.elspec.2010.08.002

DOI: 10.1016/j.elspec.2010.08.002

Investigation of the Fe K-edge XANES Spectra from Fe1-xGaxSbO4: Local versus Nonlocal Excitations (Journal article)

Sigrist, J. A., Gaultois, M. W., & Grosvenor, A. P. (2011). Investigation of the Fe K-edge XANES Spectra from Fe1-xGaxSbO4: Local versus Nonlocal Excitations. JOURNAL OF PHYSICAL CHEMISTRY A, 115(10), 1908-1912. doi:10.1021/jp111520r

DOI: 10.1021/jp111520r

XANES and XPS investigations of (TiO2)(x)(SiO2)(1-x): the contribution of final-state relaxation to shifts in absorption and binding energies (Journal article)

Gaultois, M. W., & Grosvenor, A. P. (2011). XANES and XPS investigations of (TiO2)(x)(SiO2)(1-x): the contribution of final-state relaxation to shifts in absorption and binding energies. JOURNAL OF MATERIALS CHEMISTRY, 21(6), 1829-1836. doi:10.1039/c0jm03464a

DOI: 10.1039/c0jm03464a

2010

Coordination-Induced Shifts of Absorption and Binding Energies in the SrFe1-xZnxO3-delta System (Journal article)

Gaultois, M. W., & Grosvenor, A. P. (2010). Coordination-Induced Shifts of Absorption and Binding Energies in the SrFe1-xZnxO3-delta System. JOURNAL OF PHYSICAL CHEMISTRY C, 114(46), 19822-19829. doi:10.1021/jp108117d

DOI: 10.1021/jp108117d

Examination of CeFe4Sb12 upon exposure to air: Is this material appropriate for use in terrestrial, high-temperature thermoelectric devices? (Journal article)

Sklad, A. C., Gaultois, M. W., & Grosvenor, A. P. (2010). Examination of CeFe4Sb12 upon exposure to air: Is this material appropriate for use in terrestrial, high-temperature thermoelectric devices?. JOURNAL OF ALLOYS AND COMPOUNDS, 505(1), L6-L9. doi:10.1016/j.jallcom.2010.05.167

DOI: 10.1016/j.jallcom.2010.05.167

Ternary arsenides Zr(SixAs1-x)As with PbCl2-type (0 <= x <= 0.4) and PbFCl-type (x=0.6) structures (Journal article)

Gaultois, M. W., Grosvenor, A. P., Blanchard, P. E. R., & Mar, A. (2010). Ternary arsenides Zr(SixAs1-x)As with PbCl2-type (0 <= x <= 0.4) and PbFCl-type (x=0.6) structures. JOURNAL OF ALLOYS AND COMPOUNDS, 492(1-2), 19-25. doi:10.1016/j.jallcom.2009.11.125

DOI: 10.1016/j.jallcom.2009.11.125

2008

Environmentally friendly preparation of a conjugated polyazostilbene: A photophysical and electrochemical investigation (Journal article)

Dufresne, S., Gaultois, M., & Skene, W. G. (2008). Environmentally friendly preparation of a conjugated polyazostilbene: A photophysical and electrochemical investigation. OPTICAL MATERIALS, 30(6), 961-967. doi:10.1016/j.optmat.2007.05.031

DOI: 10.1016/j.optmat.2007.05.031

2007

Disodium 5,5 '-diamino-2,2 '-ethylenedibenzenesulfonate tetrahydrate (Journal article)

Dufresne, S., Gaultois, M., & Skene, W. G. (2007). Disodium 5,5 '-diamino-2,2 '-ethylenedibenzenesulfonate tetrahydrate. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 63, M2714-MU772. doi:10.1107/S1600536807049410

DOI: 10.1107/S1600536807049410

Bis(triethylammonium)4,4 '-diaminotrans-stilbene-2,2 '-disulfonate (Journal article)

Dufresne, S., Gaultois, M., & Skene, W. G. (2007). Bis(triethylammonium)4,4 '-diaminotrans-stilbene-2,2 '-disulfonate. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 63, O3926-U1847. doi:10.1107/S1600536807041360

DOI: 10.1107/S1600536807041360