Publications
Journal Publications
2024
Wenlu Wang, Anton B. Resing, Keith A. Brown, and Jörg G. Werner*, Electrodeposition of Polymer Networks as Conformal and Uniform Ultrathin Coatings, Advanced Materials 2024, 2409826.
Zhaoyi Zheng, Anton B. Resing, Wenlu Wang, and Jörg G. Werner*, Cathodic Electrodeposition of Polymer Networks as Ultrathin Films on 3-D Micro-Architected Electrodes, RSC Applied Polymers 2024, Advance Article.
Harley Quinn, Greg. A. Robben, Zhaoyi Zheng, Alan L. Gardner, Jörg G. Werner* and Keith A. Brown*, PANDA: A self-driving lab for studying electrodeposited polymer films, Materials Horizons 2024, Advance Article.
Marghalani, R., Cueny, E.S ., Stability of metal–metal interactions in transmetallation intermediates based on electronics of bridging arene ligands determined through pyridine titrations , Dalton Trans., 2024
Morey, M., G. Nagaro, A. Halder, S. Sharifzadeh, E. Ryan, A framework for nucleation in electrochemical systems and the effect of surface energy on dendrite growth, Journal of Energy Storage, 2024, 92, 112144.
Sugimoto, M., Zhu, Z., Gopalan, S., Basu, S.N., Pal, U.B., Chromium Poisoning Mitigation Strategy in Strontium Doped Lanthanum Manganite Based Air Electrodes in Solid Oxide Fuel Cells, Journal of Electrochemical Energy Conversion and Storage, 2024, 21, 011003
2023
Ryan, E., A Roshandelpoor, Z Pollard, JL Goldfarb, P Vakili, Prospective on methods of design of experiments for limited data scenarios in materials design and engineering, MRS Communications 2023, 13, 1087-1101.
Werner, Jörg G.*; Y. Li, U. Wiesner, Block-Copolymer-Architected Materials in Electrochemical Energy Storage, Small Science 2023, 2300074.
Ye, Xing; Zhaoyi Zheng, Jörg G. Werner, John William Boley, Mechanically Rupturing Liquid Metal Oxide Induces Electrochemical Energy, Advanced Functional Materials 2023, 2309177.
Quinn, Harley; Wenlu Wang, Jörg G. Werner and Keith A. Brown, Screening for Electrically Conductive Defects in Thin Functional Films using Electrochemiluminescence, Anal. Methods, 2023, 15, 3592-3600.
Resing, Anton B., Chase Fukuda, Jörg G. Werner, Architected Low-Tortuosity Electrodes with Tunable Porosity from Nonequilibrium Soft-Matter Processing, Advanced Materials 2023, 35, 2209694.
Wang, Wenlu; Zhaoyi Zheng, Anton B. Resing, Keith A. Brown and Jörg G. Werner, Conformal Electrodeposition of Ultrathin Polymeric Films with Tunable Properties from Dual-Functional Monomers, Mol. Syst. Des. Eng. 2023, 8, 624 – 631.
Akter, A., Mulligan, J.R., Grande, H., Pal, U., Basu, S., Gopalan, S., Reversible solid oxide cells: Early performance and microstructural evolution during electrolysis and switched mode operation, Journal of Power Sources, 2023, 572, 233093.
A. Cannon, J.G. McDaniel, E.M. Ryan. Smoothed particle hydrodynamics modeling of electrodeposition and dendritic growth under migration-and diffusion-controlled mass transport. Journal of Electrochemical Energy Conversion and Storage.
Z. Pollard, A. Roshandelpoor, P. Vakili, E.M. Ryan, J. Goldfarb. Towards tunable polymer foam fabrication: A case study to advance green materials development in limited data scenarios, AIChE Journal.
Chapman, J., Hsu, T., Chen, X., Heo, T. W., Wood, B. C., “Quantifying Disorder One Atom at a Time Using an Interpretable Graph Neural Network Paradigm”, Nature Communications, July, 2023
Chapman, J., Kweon, K. E., Zhu, Y., Bushick, K., Aji, L. B. B., Colla, C., Mason, H., Goldman, N., Keilbart, N., Qiu, S. R., Heo, T. W., Rodriguez, J., Wood, B. C., “Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploitation”, Journal of Materials Chemistry A, February 2023.
Reddy, M.J., Kamecki, B., Talic, B., Zanchi, E., Smeacetto, F., Hardy, J.S., Choi, J.P., Mazur, L., Vasen, R., Basu, S.N., Brylewski, T., Svensson, J.E., and Froitzheim, J., Experimental review of the performances of protective coatings for interconnects in solid oxide fuel cells, Journal of Power Sources, 2023, 568, 232831.
2022
T. Melsheimer, M. Morey, A. Cannon, E.M. Ryan. Modeling the effects of pulse plating on dendrite growth in lithium metal batteries. Electrochimica Acta.
X. Shan, M. Morey, Z. Li, S. Zhao, S. Song, Z. Xiao, H. Feng, S. Gao, G. Li, A. Sokolov, E.M. Ryan, K. Xu, M. Tian, Y. He, H. Yang, P. Cao. A Polymer Electrolyte with High Cationic Transport Number for Safe and Stable Solid Li-Metal Batteries, ACS Energy Letters.
A. Gupta, G. McDonough, J. Moreira, J. Lau, V. Doheny, E.M. Ryan, S. Grace, G. Holt. Passive cavitation imaging in fuel injector nozzles, The Journal of the Acoustical Society of America.
Z. Pollard, A. Cannon, E.M. Ryan, J. Goldfarb. Capturing the effects of particle heterogeneity on adsorption in a fixed bed, AIChE Journal.
A. Hubble, E.M. Ryan, J. Goldfrab. Enhancing pyrolysis gas and bio-oil formation through transition metals as in situ catalysts, Fuel.
M. Morey, J. Loftus, A. Cannon, E. Ryan. Interfacial studies on the effects of patterned anodes for guided lithium deposition in lithium metal batteries, The Journal of Chemical Physics.
(Perspective article) Zhu, Y., Heo, T. W., Rodriguez, J., Weber, P., Shi, R., Baer, B., Morgado, F., Antonov, S., Kweon, K., Watkins, E., Savage, D., Chapman, J., Keilbart, N., Song, Y., Zhen, Q., Gault, B., Vogel, S., Sen-Britain, S., Shalloo, M., Orme, C., Hansen, M., Hahn, C., Pham, T. A., Macdonald, D., Qui, S. R., Wood, B. C., Hydriding of titanium: Recent trends and perspectives in advanced characterization and multiscale modeling, Current Opinion in Solid State & Materials Science, 101020, July 2022
Hsu, T., Weitzner, S., Keilbart, N., Chapman, J., Xiao, P., Pham, T. A., Chen, X., Qiu, R., Wood, B., An Efficient, Interpretable Atomistic Graph Neural Network Representation for Angle-dependent Properties and its Applications to Optical-Spectroscopy Prediction, npj Computational Materials, vol. 8, no. 151, July 2022
Bergh, W., Wechsler, S., Lokupitiya, H., Jarocha, L., Kim, K., Chapman, J., Kweon, K. E., Wood., B., Heald, S., Stefik, M., Amorphization of T-Nb2O5 Accelerates Intercalation Pseudocapacitance via Faster Lithium Diffusivity Revealed using Tunable Isomorphic Architectures, Batteries and Supercaps, February 2022
Chapman, J., Goldman, N., Characterizing the Atomistic Free-volume Morphology of Materials with Graph Theory, Computational Materials Science, vol. 213, July 2022
Chapman, J., Goldman, N., Wood, B., Efficient and Universal Characterization of Atomic Structures Through a Topological Graph Order Parameter, npj Computational Materials, vol. 8, no. 37, March 2022
Akter, A., Mulligan, J.R., Lee, J.I., Pal, U., Basu, S., Gopalan, S., Correcting for inductance in low-impedance electrochemical systems, JOM, 2022, 4544.
Zhu, Z., Darl-Uzu, C., Pal, U., Gopalan, S., Hussain, A.M., Dale, N., Fukuyama, Y., Miura, Y., Miyoshi, Y., Basu, S., Comparison of Cu-Mn and Mn-Co spinel coatings for solid oxide fuel cell interconnects, International Journal of Hydrogen Energy, 2022, 47, 36953.
Mulligan, J.R., Gopalan, S., Pal, U.B., Basu, S.N., Quantifying the relationship between microstructure and performance in gadolinium-doped ceria infiltrated Ni/YSZ symmetric cells, JOM, 2022, 74, 4527.
Akter, A., Grande, H., Pal, U., Basu, S., Gopalan, S., Optimal cell architecture for reversible solid oxide cells featuring rare-earth nickelate oxygen electrodes, Journal of Power Sources, 2022, 543, 231833.
2021
A. Yan, T. Sokolinski, W. Lane, J. Tan, K. Ferris, E.M. Ryan. Applying transfer learning with convolutional neural networks to identify novel electrolytes for metal air batteries. Computational and Theoretical Chemistry.
S. Gao, A. Cannon, F. Sun, Y. Pan, D. Yang, S. Ge, N. Liu, A. P. Sokolov, E.M. Ryan, H. Yang, and P. Cao. Glass-fiber-reinforced polymeric film as an efficient protecting layer for stable Li metal electrodes, Cell Reports Physical Science.
S. Rajendran, Z. Tang, A. George, A. Cannon , C. Neumann, A. Sawas, E. M. Ryan, A. Turchanin, L.M. Reddy Arava. Inhibition of Lithium Dendrite Formation in Lithium Metal Batteries via Regulated Cation Transport through Ultrathin Sub-Nanometer Porous Carbon Nanomembranes, Advanced Energy Materials.
A. Cannon, E.M. Ryan. Characterizing the Microstructure of Separators in Lithium Batteries and Their Effects on Dendritic Growth. ACS Applied Energy Materials.
K. Dong, Y. Xu, J. Tan, M. Osenberg, C. Yang F. Sun, Z. Kochovski, D. T. Pham, S. Mei, A. Hilger, E.M. Ryan, Y. Lu, J. Banhart, I. Manke. Unravelling the Mechanism of Lithium Nucleation and Growth and the Interaction with the Solid Electrolyte Interface, ACS Energy Letters.
D. Gopalakrishnan, S. Alkatie, A. Cannon, S. Rajendran, N.K. Thangavel, N. Bhagirath, E.M. Ryan, L.M. Reddy Arava. Anisotropic mass transport using ionic liquid crystalline electrolytes to suppress lithium dendrite growth. Sustainable Energy and Fuels.
D. Villafranco, A. Gupta, E.M. Ryan, R.G. Holt, S. Grace. An Assessment of Homogeneous Mixture Method Cavitation Models in Predicting Cavitation in Nozzle Flow, Journal of Fluids Engineering, 143, 1.
Rix, J.G., Mo, B., Nikiforov, A.Y., Pal, U.B., Gopalan, S., Basu, S.N., Quantifying Percolated Triple Phase Boundary Density and its Effects on Anodic Polarization in Ni-Infiltrated Ni/YSZ SOFC Anodes, Journal of The Electrochemical Society, 2021, 168, 114507.
Zhu, Z., Pal, U., Gopalan, S., Hussain, A.M., Dong, S., Dale, N., Fukuyama, Y., Basu, S.N., Alternating-Current Electrophoretic Deposition of Spinel Coatings on Porous Metallic Substrates for Solid Oxide Fuel Cell Applications, JOM, 2021, 73, 2764.
Mo, B., Rix, J.G., Pal, U., Basu, S.N., Gopalan, S., Exploring the Role of Humidity, Temperature, and Mixed Ionic and Electronic Conductivity on SOFC Anode Electrocatalysis, JOM, 2021, 73, 2771.
A. Moudgal, S. Buasai, Y.J. Wu, A. McMahon, J.M. Hazerjian, V. Luu, A. Ly, M.A. Asadikiya, A.C. Powell, U. Pal, and Y. Zhong, Finite Element Analysis and Techno-economic Modeling of Solar Silicon Molten Salt Electrolysis, Journal of the Minerals, Metals and Materials Society, 73 (1), 233-243
2020
R Wang, Z Sun, Y Lu, S Gopalan, SN Basu, UB Pal, Comparison of chromium poisoning between lanthanum strontium manganite and lanthanum strontium ferrite composite cathodes in solid oxide fuel cells, Journal of Power Sources 476, 228743.
Zhu, Z., Sugimoto, M., Pal, U., Gopalan, S., Basu, S., Multiple cycle chromium poisoning and in-situ electrochemical cleaning of LSM-based solid oxide fuel cell cathodes, Journal of Power Sources Advances, 2020, 6, 100037.
Mo, B., Rix, J., Pal, U.B., Basu, S.N., Gopalan, S., Improving SOFC Anode Electrocatalytic Activity Using Nanoparticle Infiltration into MIEC Compositions, J. Electrochem. Soc., 2020, 167, 134506.
Wang, R., Lu, Y., Ma, Y., Sun, Z., Gopalan, S., Basu, S.N., Pal, U.B., Experimental validation of solid oxide fuel cell polarization modeling: An LSM-YSZ/YSZ/Ni-YSZ case study, Electrochimica Acta, 2020, 361, 137052.
J. Tan, A. Cannon, E.M. Ryan. Simulating Dendrite growth in Lithium Batteries under Cycling Conditions. Journal of the Power Sources, 463: 228187.
E. Arai, A. Tartakovsky, R.G. Holt, S. Grace, E.M. Ryan. Comparison of Surface Tension Generation Methods in Smoothed Particle Hydrodynamics for Dynamic Systems, Computer and Fluids, 203, 5.
E. Arai, D. Villafranco, S. Grace, E.M. Ryan. Simulating Bubble Dynamics in a Buoyant System, International Journal for Numerical Methods in Fluids, 93, 3, 169-188.
Chapman, J., Ramprasad, R., Multi-scale Modelling of Defect Phenomena in Platinum Using Machine Learning Force Fields, The Journal of the Minerals, Metals & Materials Society, vol. 72, no. 12, October 2020
Chapman, J., Ramprasad, R., Nanoscale Modelling of Surface Phenomena in Aluminum Using Machine Learning Force Fields, Journal of Physical Chemistry C, vol. 124, no. 40, September 2020
Chapman, J., Ramprasad, R., Predicting the Dynamic Behavior of the Mechanical Properties of Platinum with Machine Learning, Journal of Chemical Physics, vol. 152, no. 22, June 2020
Chapman, J., Batra, R., Ramprasad, R., Machine Learning Models for the Prediction of Energy, Forces, and Stresses for Platinum, Computational Materials Science, vol. 174, March 2020.
Zhu, Z., Sugimoto, M., Pal, U.B., Gopalan, S., Basu, S.N., Electrochemical cleaning: An in-situ method to reverse chromium poisoning in solid oxide fuel cell cathodes, Journal of Power Sources, 2020, 471, 228474.
Mo, B., Rix, J., Pal, U.B., Basu, S.N., Gopalan, S., Characterizing performance of electrocatalyst nanoparticles infiltrated into Ni-YSZ cermet anodes for solid oxide fuel cells, Journal of the Electrochemical Society, 2020, 167, 54515.
Gasper, P.J., Lu, Y., Nikiforov, A.Y., Basu, S.N., Gopalan, S., Pal, U.B., Detailed electrochemical performance and microstructural characterization of nickel – yttria stabilized zirconia cermet anodes infiltrated with nickel, gadolinium doped ceria, and nickel – gadolinium doped ceria nanoparticles, Journal of Power Sources, 2020, 447, 227357.
2019
E.M. Ryan, J. Goldfarb. Manupulating Dendritic Growth: An Undergraduate Laboratory Experience in the Interplay between Mass Transport, Supersaturated Solutions and Dendrite Structure. Journal of Chemical Education.
G. McDonough, J. Moreira, A. Gupta, E.M. Ryan, S. Grace, G. Holt. The effect of tapered entrance in nozzle flow cavitation. The Journal of the Acoustical Society of America.
E.M. Ryan, Z. Pollard, A. Roshandelpoor, Q. Ha, P. Vakili, J. Goldfarb. Designing Heterogeneous Hierarchical Material Systems: A Holistic Approach to Structural and Materials Design. MRS Communications, 9, 2, 628-636.
K. R. Dupre, A. Vyas, J.L. Goldfard, E.M. Ryan Investigation of Computational Upscaling of Adsorption of SO2 and CO2 in Fixed Bed Columns. Adsorption, 25, 4: 773-782.
E.M. Ryan, P. Mukherjee. Mesoscale Modeling in Electrochemical Devices – A Critical Perspective. Progress in Energy and Combustion Science, 71, 118-142.
Huan, T.D., Batra, R., Chapman, J., Kim, C., Chandrasekaran, A., Ramprasad, R., Iterative-learning Strategy for the Development of Application-specific Atomistic Force Fields, Journal of Physical Chemistry C, vol. 123, no. 34, August 2019
Batra, R., Huan, T.D., Kim, C., Chapman, J., Chen, L., Chandrasekaran, A., Ramprasad, R., General Atomic Neighborhood Fingerprint for Machine Learning-based Methods, Journal of Physical Chemistry C, vol. 123, no. 25, June 2019
Chapman, J., Batra, R., Uberuaga, B.P., Pilania, G., Ramprasad, R., A Comprehensive Computational Study of Adatom Diffusion on the Aluminum (1 0 0) Surface, Computational Materials Science, vol. 158, February 2019.
Wang, R., Sun, Z., Choi, J.P., Basu, S.N., Stevenson, J.W., Tucker, M.C., Ferritic stainless steel interconnects for protonic ceramic electrochemical cell stacks: Oxidation behavior and protective coatings, International Journal of Hydrogen Energy, 2019, 44, 25297.
Lu, Y., Gasper, P., Nikiforov, A.Y., Pal, U.B., Gopalan, S., Basu, S.N., Co-infiltration of Nickel and Mixed Conducting Gd0.1Ce0.9O2-d and La0.6Sr0.3Ni0.15Cr0.85O3-d Phases in Ni-YSZ Anodes for Improved Stability and Performance, JOM, 2019, 71, 3835.
Gong, Y., Wang, R., Banner, J., Basu, S.N., Pal, U.B., Gopalan, S., Improved Tolerance of Lanthanum Nickelate (La2NiO4+δ) Cathodes to Chromium Poisoning Under Current Load in Solid Oxide Fuel Cells, JOM, 2019, 71, 3848.
Gasper, P., Lu, Y., Basu, S.N., Gopalan, S., Pal, U.B., Effect of anodic current density on the spreading of infiltrated nickel nanoparticles in nickel-yttria stabilized zirconia cermet anodes, Journal of Power Sources, 2019, 410, 196.
Davis, J.N., Pal, U.B., Gopalan, S., Ludwig, K.F., Basu, S.N., Measurement of Bulk Oxygen Diffusivity in (La0.8Sr0.2)0.95MnO3±δ, JOM, 2019, 71, 96.
2018
Lu, Y., Gasper, P., Pal, U.B., Gopalan, S., Basu, S.N., Improving intermediate temperature performance of Ni-YSZ cermet anodes for solid oxide fuel cells by liquid infiltration of nickel nanoparticles, Journal of Power Sources, 2018, 396, 257.
Guo, J., Villalon, T., Pal, U.B., Basu, S.N., Effect of optical basicity on the stability of yttria‐stabilized zirconia in contact with molten oxy‐fluoride flux, Journal of the American Ceramic Society, 2018, 101, 3605.
Sun, Z., Wang, R., Nikiforov, A.Y., Gopalan, S., Pal, U.B., Basu, S.N., CuMn1.8O4 protective coatings on metallic interconnects for prevention of Cr-poisoning in solid oxide fuel cells, Journal of Power Sources, 2018, 378, 125.
Wang, R., Sun, Z., Pal, U.B., Gopalan, S., Basu, S.N., Mitigation of chromium poisoning of cathodes in solid oxide fuel cells employing CuMn1.8O4 spinel coating on metallic interconnect, Journal of Power Sources, 2018, 376, 100.
K. Dupre, E.M. Ryan, A. Suleimenov, J. Goldfarb. Experimental and Computational Demonstration of a Low-Temperature Waste to By-Product Conversion of U.S. Oil Shale Semi-Coke to a Flue Gas Sorbent . Energies, 11, 3195
K. Xie, W. Wei, N. Li, J. Tan, L. Zhang, X. Luo, K. Yuan, Q. Song, H. Li, C. Shen, E.M. Ryan, L. Liu and B. Wei. Suppressing Dendritic Lithium Formation Using Porous Media in Lithium Metal Based Batteries. Nano Letters.
W. A. Lane, E.M. Ryan. Verification, validation, and uncertainty quantification of a sub-grid model for heat transfer in gas-particle flows with immersed horizontal cylinders. Chemical Engineering Science.
L. Watson, H. Do, S. Grace, E.M. Ryan, G. Holt. Void fraction inference in cavitating fuel injector flows. The Journal of the Acoustical Society of America.
Chapman, J., Foos, J., Nelson, A., Hartung, E., Williams, A., Pairwise disagreements of Kekulé, Clar, and Fries Numbers for Benzenoids: a Mathematical and Computational Investigation, Communications in Mathematical and Computer Chemistry, vol. 80, no. 1, February 2018
2017
Huan, T.D., Batra, R., Chapman, J., Krishnan, S., Chen, L., Chandrasekaran, A., Ramprasad, R., A Universal Strategy for the Creation of Machine Learning-based Atomistic Force Fields, npj Computational Materials, vol. 3, no. 1, September 2017
Botu, V., Chapman, J., Ramprasad, R., A Study of Adatom Ripening on an Al (1 1 1) Surface with Machine Learning Force Fields, Computational Materials Science, vol. 129, March 2017
2016
X Guan, UB Pal, Y Jiang, S Su, Clean metals production by solid oxide membrane electrolysis process, Journal of Sustainable Metallurgy 2, 152-166.
J. Tan,E.M. Ryan.Structured Electrolytes to Suppress Dendrite Growth in High Energy Density Batteries.International Journal of Energy Research.
J. Tan,E.M. Ryan.Computational study of electro-convection effects on dendrite growth in batteries.Journal of Power Sources.
W. A. Lane, S. Sundaresan,E.M. RyanSub-Grid Filtering Model for Multiphase Heat Transfer With Immersed Tubes.Chemical Engineering Science.
J. Tan, K. Ferris, A.M. Tartakovsky,E.M. Ryan.Investigating the Effects of Anisotropic Mass Transport on Dendrite Growth in High Energy Density Lithium Batteries.The Journal of the Electrochemical Society.
Botu, V., Batra, R., Chapman, J., Ramprasad, R., Machine Learning Force Fields: Construction, Validation, and Outlook, Journal of Physical Chemistry C, vol. 121, no. 1, December 2016
Patents
Book Chapters
E.M. Ryan, M.A. Khaleel, Modeling Solid Oxide Fuel Cells from the Macro-Scale to the Nano-Scale, in: D. Stolten, B. Emonts (Eds.) Fuel Cell Science and Engineering – Materials, Processes and Systems, Wiley, 2012.