Publications & Presentations
Publications & Presentations
Click here to view PI Steven DeCaluwe’s Publications page (which includes additional publications).
- Huey, Z.; Ha, Y.; Frisco, S.; Norman, A.; Teeter, G.; Jiang, C.-S.; DeCaluwe, S.C. “Multi-modal characterization methods of solid-electrolyte interphase in silicon-graphite composite electrodes.” J. Power Sources, 564, 2023. 232804.
- Chen-Glasser, M.; Landis, A.E.; DeCaluwe, S.C. “Carbon Footprint of Li-Oxygen Batteries and the Impact of Material and Structure Selection.” J. Energy Stor., 60, 2023. 106684.
- Chen-Glasser, M.; DeCaluwe, S.C. “A Review on the Socio-environmental Impacts of Lithium Supply for Electric Aircraft.” Frontiers Aero. Eng., 1(11), 2022. 01-13.
- Randall, C.R.; DeCaluwe, S.C. “Predicted Impacts of Pt and Ionomer Distributions on Low-Pt-Loaded PEMFC Performance.” J. Electrochem. Soc., 169(9), 2022. 094512.
- Korff, D.; Colclasure, A.M.; Ha, Y.; Smith, K.A.; DeCaluwe, S.C. “Pathways Toward High-energy Li-sulfur Batteries, Identified via Multi-reaction Chemical Modeling.” J. Electrochem. Soc., 169(1), 2022. 010520.
- Mistry, A.; Verma, A.; Sripad, S.; Ciez, R.; Sulzer, V.; Brosa-Planella, F.; Timms, R.; Zhang, Y.; Kurchin, R.; Dechent, P.; Li, W.; Greenbank, S.; Ahmad, Z.; Krishnamurthy, D.; Fenton Jr, A.M.; Tenny, K.; Patel, P.; Juarez-Robles, D.; Gasper, P.; Colclasure, A.; Baskin, A.; Scown, C.D.; Subramanian, V.R.; Khoo, E.; Allu, S.; Howey, D.; DeCaluwe, S.; Roberts, S.A.; Viswanathan, V. “A Minimal Information Set to Enable Verifiable Theoretical Battery Research.” ACS Energy Lett, 6(11), 2021. 3831-3835. Citations: 21
Preprint coming soon.
- Howey, D.A.; Roberts, S.A.; Viswanathan, V.; Mistry, A.; Beuse, M.; Khoo, E.; DeCaluwe, S.C.; Sulzer, V. “Free Radicals: Making a Case for Battery Modeling.” The Electrochemical Society Interface, 29(4), 2020. 30. Citations: 15
- Li, Z.; Stetson, C.; Teeter, G.; Norman, A.; Ha, Y.; Tremolet de Villers, B.J.; Huey, Z.; Walker, P.; Han, S.-D.; DeCaluwe, S.C.; Jiang, C.-S.; Burrell, A.K.; Zakutayev, A. “Improving Interface Stability of Si Anodes by Mg Coating in Li-ion Batteries.” ACS App. Energy Mater., 3 (12), 2020. 11534-11539. Citations: 11
Preprint not available. Visit journal website here.
- Sripad, S.; Korff, D.; DeCaluwe, S.C.; Viswanathan, V. “Kinetics of Lithium Electrodeposition and Stripping.” J. Chem. Phys., 153(19), 2020. 194701. Citations: 20
- Stetson, C.; Huey, Z.; Downard, A.; Li, Z.; To, B.; Zakutayev, A.; Jiang, C.-S.; Al-Jassim, M.; Finegan, D.P.; Han, S.-D.; DeCaluwe, S.C. “Three-dimensional Mapping of Resistivity and Microstructure of Composite Electrodes for Lithium-ion Batteries.” Nano Lett., 20(11), 2020. 8081. Citations: 9
- Stetson, C.; Schnabel, M.; Li, Z.; Harvey, S.P.; Jiang, C.-S.; Norman, A.; DeCaluwe, S.C.; Al-Jassim, M.; Burrell, A. “Microscopic Observation of Solid Electrolyte Interphase Bilayer Inversion on Silicon Oxide.” ACS Energy Lett., 5, 2020. 3657.Citations: 19
- Stetson, C.; Yin, Y.; Norman, A.; Harvey, S.P.; Schnabel, M.; Ban, C.; Jiang, C.S.; DeCaluwe, S.C.; Al-Jassim, M. “Evolution of Solid Electrolyte Interphase and Active Material in the Silicon Wafer Model System.” J. Power Sources. 482(15), 2020, 228946.Citations: 18
- Baker, J.A.; Beuse, M.; DeCaluwe, S.C.; Jing, L.W.; Khoo, E.; Sripad, S.; Ulissi, U.; Verma, A.; Wang, A.A.; Yeh, Y.T.; Yiu, N.; Howey, D.A.; Viswanathan, V. “Fostering a Sustainable Community in Batteries.” ACS Energy Lett. 5, 2020, 2361 – 2366. Citations: 9
- Randall, C.R.; DeCaluwe, S.C. “Physically Based Modeling of PEMFC Cathode Catalyst Layers: Effective Microstructure and Ionomer Structure-Property Relationship Impacts.” J. Electrochem. Energy. Conv. Storage: 2020 Emerging Investigators Special Issue, 17(4), 2020, 041104 – 041113. Citations: 4
- Khoo, E.; Lacey, M.J.; DeCaluwe, S.C. “Social Media Platforms for Electrochemistry.” ECS Interface, 28(4), 2019, 41. Citations: 2
- Stetson, C.; Yin, Y.; Jiang, C.-S.; DeCaluwe, S.C.; Al-Jassim, M.; Neale, N.R.; Ban, C.; Burrell, A. “Temperature-Dependent Solubility of Solid Electrolyte Interphase on Silicon Electrodes.” ACS Energy Lett., 4, 2019, 2770-2775. Citations: 38
- Mayur. M; DeCaluwe, S.C.; Kee, B.L.; Bessler, W.G. “Modeling and simulation of the thermodynamics of lithium-ion battery intercalation materials in the open-source software Cantera.” Electrochimica Acta, 323, 2019, p. 134797. Citations: 15
- Kee, B.L.; Curran, D.; Zhu, H.; Braun, R.J.; DeCaluwe, S.C.; Kee, R.J.; Ricote, S. “Thermodynamic Insights for Electrochemical Hydrogen Compression with Proton-Conducting Membranes.” Membranes, 9, 2019. p. 134797. Citations: 24
- DeCaluwe, S.C., “Open software for chemical and electrochemical modeling: Opportunities and challenges.” ECS Interface, 28, 2019, p. 47—50. Citations: 4
- Lee, C.H., Dura, J.A., LeBar, A., DeCaluwe, S.C., “Direct, operando observation of the bilayer solid electrolyte interphase structure: Electrolyte reduction on a non-intercalating electrode.” J. Power Sources, 412, 2019, p. 725—735. Citations: 32
- DeCaluwe, S.C., Weddle, P.J, Zhu, H.Y., Colclasure, A.M., Bessler, W.G., Jackson, G.S., Kee, R.J., “On the Fundamental and Practical Aspects of Modeling Complex Electrochemical Kinetics and Transport.” J. Electrochem. Soc., 165, 2018, p. E637—E658. Citations: 22
- DeCaluwe, S.C., Baker, A.M., Bhargava, P., Fischer, J.E., Dura, J.A., “Structure-property relationships at Nafion thin-film interfaces: Thickness effects on hydration and anisotropic ion transport.” Nano Energy, 46, 2018, p. 91—100. Citations: 71
Download Preprint Here. Download Supplementary Information Here.
- Kogekar, G., Karakaya, C., Liskovich, G.J., Oehlschlaeger, M.A., DeCaluwe, S.C., Kee, R.J., “Impact of non-ideal behavior on ignition delay and chemical kinetics in high-pressure shock tube reactors.” Combustion and Flame, 189, 2018, p. 1—11. Citations: 42
- Kee, B., Karakaya, C., Zhu, H. DeCaluwe, S.C., Kee, R.J., “The influence of hydrogen-permeable membranes and pressure on methane dehydroaromatization in packed-bed catalytic reactors.” Ind. Eng. Chem. Res., 56(13), 2017, p. 3551—3559. Citations: 15
- DeCaluwe, S.C., Dhar, B.M., Huang, L., He, Y., Yang, K., Owejan, J.P., Zhao, Y., Talin, A.A., Dura, J.A., Wang, H., “Pore collapse and regrowth in silicon electrodes for rechargeable batteries.” Phys. Chem. Chem. Phys., 17(17), 2015, p. 11301—11312. Citations: 29.
Download Preprint Here. Download Supplementary Information Here.
- DeCaluwe, S.C., Kienzle, P.A., Bhargava, P., Baker, A.M., Dura, J.A., “Phase segregation of sulfonate groups in Nafion interface lamellae, quantified via neutron reflectometry fitting techniques for multi-layered structures.” Soft Matt., 10(31), 2014, p. 5763—5776. Citations: 77
Download Preprint Here. Download Supplementary Information Here.
Conference Presentations
2020
- DeCaluwe, S.C., Goldsmith, C.F., Jackson, G.S., Kee, R.J., Niemeyer, K.E., Speth, R.L., Weber, B.W., West, R.H., “Cantera: an open source software tool for integrating complex thermo-chemistry into device-level simulations.” American Chemical Society, Fall 2020. August, 2020 (presented virtually due to COVID-19).
Download from FigShare Here. - DeCaluwe, S.C., “Interactive Session: Building Bridges Between Conservation Biology and Energy Technology.” North American Congress on Conservation Biology 2020. July, 2020, Denver, CO (presented virtually due to COVID-19).
- Randall, C.R., DeCaluwe, S.C., “Using Neutron Reflectometry to Quantify the Carbon-Nafion Interface for PEM Fuel Cell Applications.” American Conference on Neutron Scattering 2020. July, 2020, Boulder, CO (presented virtually due to COVID-19).
Download from FigShare Here. - DeCaluwe, S.C., “Battery Modelling with Cantera: Flexible and Robust Incorporation of Electrochemical Complexity.” Invited talk, Oxford Battery Modelling Symposium 2020. March, 2020, Oxford UK (presented virtually due to COVID-19).
Download from FigShare Here. - DeCaluwe, S.C., “Operando Observation of the Bilayer Solid Electrolyte Interphase” Invited talk, TMS 2020. February, 2020, San Diego, CA, USA.
Download from FigShare Here.
2019
- Kee, R.J., DeCaluwe, S.C., Jackson, G.S., “Extensible software for research with non-ideal gases, heterogeneous catalysis, and electrochemistry.” Invited talk, Multi-Agency Coordinating Committee for Combustion Research Review. September, 2019, Arlington, VA, USA.
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Randall, C.R. and DeCaluwe, S.C., “Effects of Modeling Approach and Microstructural Transport on Proton Exchange Membrane Fuel Cells,” 235th Electrochemical Society Meeting. May, 2019, Dallas, TX, USA.
Download from FigShare Here.
2018
- DeCaluwe, S.C., “Detailed Chemistry Modeling via Cantera: A Pathway to Understand Li-ion Battery Degradation .” Invited talk, AiMES 2018 / 234th Electrochemical Society Meeting: ECS Data Science Showcase. October, 2018, Cancun, Mexico.
- DeCaluwe, S.C., “In situ NR Depth Profiles for Analysis of Transport Limitations in PEMFC Catalyst Layers,” Invited talk: Gordon Research Conference on Fuel Cells. July-August, 2018, Smithfield, RI, USA.
- DeCaluwe, S.C., “Operando diagnostics as a pathway to mechanistic understanding of SEI electrochemistry.”Invited talk, Beyond Lithium Ion XI. July, 2018, Cleveland, OH, USA.;
- DeCaluwe, S.C., “Electrolyte interface layers in Li batteries: Electrolyte reduction layers measured via neutron reflectometry and quartz crystal microbalance”, American Conference on Neutron Scattering. June, 2018, College Park, MD, USA.
2017
- DeCaluwe, S.C., “Evaluating the Elementary Chemistry of the Li-ion Battery SEI ia in operando Neutron Scattering and QCM-D.” Invited talk, Biolin Scientific Surface and Interface Analysis Workshop. November, 2017, Golden, CO, USA.
- DeCaluwe, S.C., “In situ NR Depth Profiles for Analysis of Transport Limitations in PEMFC Catalyst Layers.” 232nd Electrochemical Society Meeting. October, 2017, National Harbor, MD, USA.
- DeCaluwe, S.C., Lee, C.H., Rus, E.D., Dura, J.A., “Detailed chemistry modeling via Cantera: A pathway to understand battery degradation mechanisms.” Invited talk: Karlsruhe Institute of Technology SiMET Training Group. October, 2017, Leinsweiler, Germany.
- DeCaluwe, S.C., Lee, C.H., Rus, E.D., Dura, J.A., “A necessary evil: solid electrolyte interphase chemistry and Li-ion battery degradation.” Invited seminar: University of Applied Sciences Offenburg, Electrical Energy Storage Group. October, 2017, Offenburg, Germany.