Publications by year

2026

Donahue, C. M.; Ma, Q.; Haile, S. M. Direct in Situ Detection of Grain Boundary Reduction in Nanocrystalline Ceria. Physical Chemistry Chemical Physics 2026, 28 (6), 4314–4320. https://doi.org/10.1039/D5CP03733F.

Xiong, G.; Haile, S. M. X-Ray and Neutron Diffraction Studies of Single-Crystal Cubic Cs₂(HSO₄)(H₂PO₄). Materials Advances 2026, 7 (3), 1451–1459. https://doi.org/10.1039/D5MA01274K.

2025

Shin, Y.; Sanders, M. D.; Truong, E.; Majumder, S.; Cladek, B.; Walker, M.; Ogbolu, B.; Zhang, R.; Evmenenko, G. A.; Hu, Y.-Y.; Bedzyk, M. J.; Page, K.; Haile, S. M.; O’Hayre, R. Thermodynamics, Local Structure, and Transport of Protons in Triple-Conducing Oxide, BaCo0.4Fe0.4Zr0.1Y0.1 O3 – δ (BCFZY4411). Solid State Ionics 2025, 429, 116962. https://doi.org/10.1016/j.ssi.2025.116962.

O’Hayre, R.; Haile, S. M. Solid-State Hydrogen Storage Goes Electric. Science 2025, 389 (6766), 1187–1188. https://doi.org/10.1126/science.aeb3327.

Dyer, I. D.; Vahidi, H.; Paik, H.; Gobena, H. T.; Tafese, B. N.; Sakamoto, J.; Rupp, J. L. M.; Bowman, W. J.; Haile, S. M. Pristine Interface between Lithium Lanthanum Zirconate and Lithium Manganese Oxide by Pulsed Laser Deposition. Advanced Materials Interfaces 2025, 12 (15), e00469. https://doi.org/10.1002/admi.202500469.

Dos Santos, G. T.; Griffin, E.; Chery, P.; Cheng, Y.; Haile, S. M.; Reis, R. D.; Dravid, V. P. How Interface Evolution at the Nanoscale Dictates Protonic Ceramic Cell Behavior. Microscopy and Microanalysis 2025, 31 (Supplement_1), ozaf048.683. https://doi.org/10.1093/mam/ozaf048.683.

Cladek, B.; Agyekum, K.; Shin, Y.; Meier, W. R.; Liu, J.; O’Hayre, R.; Haile, S. M.; Page, K. Subtleties in the Structure and Magnetic Properties of the Triple Conducting Perovskite, BaCo0.4Fe0.4Zr0.1Y0.1 O3 – δ. Physical Review Materials 2025, 9 (7), 075404. https://doi.org/10.1103/7s9b-dqk7.

Liang, Y.; Zhang, X.; Ren, Y.; Kucharczyk, C. J.; Huang, R.; Lee, S.; Jaim, H. M. I.; Tan, H.; Zhang, H.; Marksz, E. J.; Bendersky, L. A.; Davydov, A. V.; Haile, S. M.; Takeuchi, I. Characterization of Out-of-Plane Transport Properties of Sm0.2Ce0.8O2−δ in All-Thin-Film Hetero-Epitaxial Structures. AIP Advances 2025, 15 (6), 065012. https://doi.org/10.1063/5.0272589.

Pandey, S.; Goldfine, E. A.; Sinha, S.; Zhang, C.; Wenderott, J. K.; Kaczmarczyk, L.; Dabrowiecki, K.; Dravid, V. P.; González, G. B.; Haile, S. M. Steam-Assisted Ammonolysis of MoO2 as a Synthetic Pathway to Oxygenated δ-MoN. Materials 2025, 18 (10), 2340. https://doi.org/10.3390/ma18102340.

Agyekum, K.; Cladek, B.; Shin, Y.; Liu, J.; O’Hayre, R.; Haile, S.; Page, K. Compositional Effects on the Triple Conduction Behavior of Ba[CoxFe0.8-xZr0.1Y0.1]O3-δ(BCFZY) - Insights from Neutron Total Scattering Studies. Structural Dynamics 2025, 12 (2_Supplement), A221–A221. https://doi.org/10.1063/4.0000528.

Xiong, G.; Wang, L. S.; Haile, S. M. Phase Behavior, Crystal Structure, and Superprotonic Conductivity of Cs[(H₂PO₄)1−2y(HPO₄)y]: Phosphate Deficient Analogs to Cubic CsH₂PO₄ in the (1 − x )CsH₂PO₄ – x Cs₂HPO₄ System. Journal of Materials Chemistry A 2025, 13 (25), 19705–19716. https://doi.org/10.1039/D4TA08426H.

2024

Xiong, G.; Jo, A.; Wang, L. S.; Haile, S. M. High Temperature Phase Transformations and Superprotonic Conductivity in Cs2(HSeO4)(H2PO4). Solid State Ionics 2024, 416, 116690. https://doi.org/10.1016/j.ssi.2024.116690.

Yun, J.; Xiong, G.; Kim, S.; Bardgett, D.; Choi, S.; Haile, S. M. Understanding Direct-Ammonia Protonic Ceramic Fuel Cells: High-Performance in the Absence of Precious Metal Catalysts. ACS Energy Letters 2024, 9 (11), 5520–5528. https://doi.org/10.1021/acsenergylett.4c02263.

Wang, L. S.; Haile, S. M. From Fundamental Interfacial Reaction Kinetics to Macroscopic Current–Voltage Characteristics: Case Study of Solid Acid Fuel Cell Limitations and Possibilities. Advanced Materials Interfaces 2024, 11 (20), 2400119. https://doi.org/10.1002/admi.202400119.

Sweers, M. E.; Ma, Q.; Donahue, C. M.; Nordlund, D.; Haile, S. M.; Seitz, L. C. Epitaxial Strain-Tuned Oxygen Vacancy Formation, Reduction Behavior, and Electronic Structure of Perovskite SrIr O 3. Physical Review Materials 2024, 8 (5), 055801. https://doi.org/10.1103/PhysRevMaterials.8.055801.

Qian, X.; Haile, S. M. Cross-Validation of the Remarkably High Surface Oxygen Exchange Kinetics of PrBa0.5 Sr0.5 Co1.5 Fe0.5 O5+δ : A Combined Thin-Film Mass Relaxation and Bulk Electrical Conductivity Relaxation Study. ACS Applied Materials & Interfaces 2024, 16 (11), 13697–13705. https://doi.org/10.1021/acsami.3c18574.

Zhang, C.; Goldfine, E. A.; He, K.; Wenderott, J. K.; Pandey, S. A.; Dos Reis, R.; Shen, J.; Wolverton, C.; Bedzyk, M. J.; Poeppelmeier, K. R.; Dravid, V. P.; Haile, S. M. Elucidating the Reaction Pathway in the Ammonolysis of MoO₃ via In Situ Powder X-Ray Diffraction and Transmission Electron Microscopy. Chemistry of Materials 2024, 36 (3), 1123–1135. https://doi.org/10.1021/acs.chemmater.3c01344.

Varga, Á.; Downard, A. J.; Evoen, V.; Giapis, K. P.; Flagan, R. C.; Haile, S. M. Electrospray Synthesis and in-Situ Sizing of Nanoparticulate CsH₂ PO₄. Aerosol Science and Technology 2024, 58 (1), 99–113. https://doi.org/10.1080/02786826.2023.2279528.

Žguns, P.; Klyukin, K.; Wang, L. S.; Xiong, G.; Li, J.; Haile, S. M.; Yildiz, B. Uncovering Fast Solid-Acid Proton Conductors Based on Dynamics of Polyanion Groups and Proton Bonding Strength. Energy & Environmental Science 2024, 17 (15), 5730–5742. https://doi.org/10.1039/D4EE01219D.

Chung, H. W.; Cladek, B.; Hsiau, Y.-Y.; Hu, Y.-Y.; Page, K.; Perry, N. H.; Yildiz, B.; Haile, S. M. Hydrogen in Energy and Information Sciences. MRS Bulletin 2024, 49 (5), 435–450. https://doi.org/10.1557/s43577-024-00714-9.

2023

Carr, C. G.; Zhou, T.; Cherukara, M.; Phatak, C.; Haile, S. M. Reconstruction of Simulated Electrostatic Potentials by Automatic Differentiation-Based Phase Retrieval in Electron Microscopy Imaging. MRS Communications 2023, 13 (5), 871–876. https://doi.org/10.1557/s43579-023-00420-8.

Baldassarri, B.; He, J.; Qian, X.; Mastronardo, E.; Griesemer, S.; Haile, S. M.; Wolverton, C. Accuracy of DFT Computed Oxygen-Vacancy Formation Energies and High-Throughput Search of Solar Thermochemical Water-Splitting Compounds. Physical Review Materials 2023, 7 (6), 065403. https://doi.org/10.1103/PhysRevMaterials.7.065403.

Xiong, G.; Wang, L. S.; Haile, S. M. Superprotonic Conductivity in RbH 2−3 y (PO₄ ) 1− y  : A Phosphate Deficient Analog to Cubic CsH₂ PO₄ in the (1 − x )RbH₂ PO₄ – x Rb₂ HPO₄ System. Materials Horizons 2023, 10 (12), 5555–5563. https://doi.org/10.1039/D3MH00852E.

Mastronardo, E.; Qian, X.; Coronado, J. M.; Haile, S. M. A and B Site Co-Doping of CaMnO₃ : A Route to Enhanced Heat Storage Properties. Journal of Materials Chemistry A 2023, 11 (16), 8858–8872. https://doi.org/10.1039/D2TA07779E.

2022

Goldfine, Elise A. and Wenderott, Jill K. and Sweers, Matthew E. and Pandey, Shobhit and Seitz, Linsey C. and Bedzyk, Michael J. and Haile, Sossina M. (2022) Molybdenum Oxide Precursors that Promote the Low-Temperature Formation of High-Surface-Area Cubic Molybdenum (Oxy)nitride. Inorganic Chemistry, (61). 16760-16769. doi: 10.1021/acs.inorgchem.2c02603.

Lou, Jiahui and Tian, Zhenyu and Wu, Yunyun and Li, Xiao and Qian, Xin and Haile, Sossina M. and Hao, Yong. (2022) Thermodynamic assessment of nonstoichiometric oxides for solar thermochemical fuel production. Solar Energy, (241). 504-514. doi: 10.1016/j.solener.2022.05.008.

Anand, Shashwat and Toriyama, Michael Y. and Wolverton, Chris and Haile, Sossina M. and Snyder, G. Jeffrey. (2022) A Convergent Understanding of Charged Defects. Accounts of Materials Research, (3). 685-696. doi: 10.1021/accountsmr.2c00044.

Qian, Xin and Haile, Sossina M. and Davenport, Timothy C. and Mastronardo, Emanuela. (2022) Experimental protocols for the assessment of redox thermodynamics of nonstoichiometric oxides: A case study of YMnO3-δ. Journal of the American Ceramic Society, (105). 4375-4386. doi: 10.1111/jace.18387.

Huang, Ruiyun and Carr, Connor G. and Gopal, Chirranjeevi Balaji and Haile, Sossina M. (2022) Broad Applicability of Electrochemical Impedance Spectroscopy to the Measurement of Oxygen Nonstoichiometry in Mixed Ion and Electron Conductors. Applied Materials & Interfaces, (14). 19629-19643. doi: 10.1021/acsami.2c05417.

Shih, Arthur J. and Haile, Sossina M. (2022) Electrifying Membranes to Deliver Hydrogen.Science, (376). 348-349. doi: doi:10.1126/science.abo5369.

Wang, Louis S. and Patel, Sawankumar V. and Truong, Erica and Hu, Yan-Yan and Haile, Sossina M. (2022) Phase Behavior and Superprotonic Conductivity in the System (1–x)CsH2PO4 – xH3PO4 Discovery of Off-Stoichiometric α-[Cs1–xHx]H2PO4. Chemistry of Materials, (34). 1809-1820. doi: 10.1021/acs.chemmater.1c04061.

2021

Huang, Ruiyun and Antono, Erin and Meredig, Bryce and Mulholland, Gregory J. and Davenport, Timothy C. and Haile, Sossina M. (2021) High-Throughput Characterization of Lu-Doped Zirconia. Solid State Ionics, (368). 115698. doi: 10.1016/j.ssi.2021.115698.

Pandey, Shobhit A. and Zhang, Chi and Ibrahim, Daniah H. and Goldfine, Elise A. and Wenderott, Jill K. and dos Reis, Roberto and Paul, Rick L. and Spanopoulos, Ioannis and Kanatzidis, Mercouri and Bedzyk, Michael J. and Dravid, Vinayak P. and González, Gabriela B. and Haile, Sossina M. (2021) Hidden Complexity in the Chemistry of Ammonolysis-Derived ‘γ-Mo3N’: An Overlooked Oxynitride Hydride. Chemistry of Materials 33 (17): 6671–84. doi: 10.1021/acs.chemmater.1c00617.

Mastronardo, Emanuela and Qian, Xin and Coronado, Juan M. and Haile, Sossina M. (2021) Impact of La Doping on the Thermochemical Heat Storage Properties of CaMnO3-δ. Journal of Energy Storage 40 (August): 102793. doi: 10.1088/2515-7655/abff18.

Irvine, John and Rupp, Jennifer and Liu, Gang and Xu, Xiaoxiang and Haile, Sossina M. and Qian, Xin and Snyder, Alem et al. (2021) Roadmap on Inorganic Perovskites for Energy Applications. Journal of Physics: Energy.

Sanghvi, Sheel and Haile, Sossina M. (2021) A Humidity-Controlled Precipitation Technique Enabling Discovery of Rb3(H1.5PO4)2. Journal of Solid State Chemistry 296 (April): 121951. doi: 10.1016/j.jssc.2020.121951.

Xu, Xin and Carr, Connor and Chen, Xinqi and Myers, Benjamin D. and Huang, Ruiyun and Yuan, Weizi and Choi, Sihyuk and Yi, Dezhi and Phatak, Charudatta and Haile, Sossina M. (2021) Local Multimodal Electro-Chemical-Structural Characterization of Solid-Electrolyte Grain Boundaries. Advanced Energy Materials 11 (10): 2003309. doi: 10.1002/aenm.202003309.

Qian, Xin and He, Jiangang and Mastronardo, Emanuela and Baldassarri, Bianca and Yuan, Weizi and Wolverton, Christopher and Haile, Sossina M. (2021) Outstanding Properties and Performance of CaTi0.5Mn0.5O3–δ for Solar-Driven Thermochemical Hydrogen Production Matter 4 (2): 688–708. doi: 10.1016/j.matt.2020.11.016.

2020

Yuan, Weizi, and Haile, Sossina M. (2020) Insensitivity of the extent of surface reduction of ceria on termination: comparison of (001), (110), and (111) faces. MRS Communications 10, 636–641

Xu, Xin, Barrows, Frank, Dravid, Vinayak P., Haile, Sossina M., and Phatak Charudatta (2020) Quantifying leakage fields at ionic grain boundaries using off-axis electron holography Journal of Applied Physics 128, 214301

Narayanachari, K. V. L. V., Buchholz, D. Bruce, Goldfine, Elise A., Wenderott, Jill K., Haile, Sossina M., and Bedzyk, Michael J. (2020) Combinatorial Approach for Single-Crystalline TaON Growth: Epitaxial β-TaON (100)/α-Al2O3 (012) ACS Applied Electronic Materials 2 (11), 3571-3576

Barrows, Frank, Xu, Xin, Haile, Sossina, Phatak, Charudatta, and Petford-Long, Amanda (2020) Electron Holography Investigation of Resistive Switching CeO2 / STO Nanocolumns. Microscopy and Microanalysis 26.S2: 1950-951.

Wang, Louis S., Sawankumar V. Patel, Sheel S. Sanghvi, Yan-Yan Hu, and Sossina M. Haile (2020) Structure and Properties of Cs7(H4PO4)(H2PO4)8: A New Superprotonic Solid Acid Featuring the Unusual Polycation (H4PO4)+. Journal of the American Chemical Society. American Chemical Society.

Lim, Dae-Kwang, Austin B. Plymill, Haemin Paik, et al. (2020) Solid Acid Electrochemical Cell for the Production of Hydrogen from Ammonia. Joule 4(11): 2338–2347.

Haile, Sossina M. (2020) Accelerating Oxygen Surface Exchange. Nature Catalysis 3(11): 863–864.

Qian, Xin, Jiangang He, Emanuela Mastronardo, et al. (2020) Favorable Redox Thermodynamics of SrTi0.5Mn0.5O3−δ in Solar Thermochemical Water Splitting. Chemistry of Materials 32(21). American Chemical Society: 9335–9346.

Yamazaki, Yoshihiro and Kuwabara, Akihide and Hyodo, Junji et al. (2020) Oxygen Affinity: The Missing Link Enabling Prediction of Proton Conductivities in Doped Barium Zirconates. Chemistry of Materials.

Flynn, Steven and Sanghvi, Sheel and Nisbet, Matthew L. et al. (2020) LiIn2SbO6: A New Rutile-Related Structure-type with Unique Ion Channels. Chemistry of Materials.

Xu, Xin and Liu, Yuzi and Wang, Jie et al. (2020) Variability and origins of grain boundary electric potential detected by electron holography and atom-probe tomography. Nature materials.

Yuan, Weizi and Ma, Qing and Liang, Yangang et al. (2020) Unexpected trends in the enhanced Ce3+ surface concentration in ceria-zirconia catalyst materials. Journal of Materials Chemistry A, 8(19). pp. 9850-9858.

Mastronardo, Emanuela and Qian, Xin and Coronado, Juan M. et al. (2020) The favourable thermodynamic properties of Fe-doped CaMnO3 for thermochemical heat storage. Journal of Materials Chemistry A, 8(17). pp. 8503-8517.

Sanghvi, Sheel and Haile, Sossina M. (2020). Crystal structure, conductivity, and phase stability of Cs3(H1.5PO4)2 under controlled humidity. Solid State Ionics, 349. pp. 115291.

Schmitt, Rafael and Nenning, Andreas and Kraynis, Olga et al. (2020) A review of defect structure and chemistry in ceria and its solid solutions. Chemical Society Reviews, 49(2). pp. 554-592.

Yi, Dezhi and Sanghvi, Sheel and Kowalski, Chatr P. et al. (2019) Phase Behavior and Superionic Transport Characteristics of (MxRb1–x)3H(SeO4)2 (M = K or Cs) Solid Solutions. Chemistry of Materials 31(23). pp. 9807-9818.

Mastronardo, Emanuela and Qian, Xin and Coronado, Juan M. et al.(2019) Fe-doped CaMnO3 for thermochemical heat storage application. AIP Conference Proceedings, 2126(1). pp. 210005.

Choi, Sihyuk and Davenport, Timothy C. and Haile, Sossina M. (2019) Protonic ceramic electrochemical cells for hydrogen production and electricity generation: exceptional reversibility, stability, and demonstrated faradaic efficiency. Energy & Environmental Science, 12(1). pp. 206-215.

Publications by topic

Thermochemical approaches to solar fuels

Fuel Cells and Electrocatalysis (Solid Acid Electrolytes)

Fuel Cells and Electrocatalysis (Solid Oxide Electrolytes)

Chemical Catalysis

Oxide Ion and Mixed Conductors (Fundamentals)

Proton Conducting Perovskites

Solid Acid Compounds


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