Publications
Journal articles and book chapters
J. S. Yoon, D. W. Liao, S. M. Greene, T. H. Cho, N. Dasgupta, and D. J. Siegel, Thermodynamics, Adhesion, and Wetting at Li/Cu(-oxide) Interfaces: Relevance for Anode-Free Lithium-Metal Batteries, ACS Applied Materials & Interfaces, 16, 18790–18799 (2024). DOI: 10.1021/acsami.3c19034
K. Nath, K. Wright, A. Ahmed, D. J. Siegel, and A. J. Matzger, Adsorption of Natural Gas in Metal-Organic Frameworks: Selectivity, Cyclability, and Comparison to Methane Adsorption, Journal of the American Chemical Society, 146, 10517–10523 (2024). DOI: 10.1021/jacs.3c14535
J. S. Yoon, H. Sulaimon, and D. J. Siegel, Exploiting Grain Boundary Diffusion to Minimize Dendrite Formation in Lithium Metal-Solid State Batteries, Journal of Materials Chemistry A, 11, 23288–23299 (2023). DOI: 10.1039/D3TA03814A
S. Kiyabu and D. J. Siegel, Computational Discovery of Thermochemical Heat Storage Materials Based on Chalcogenide and Complex Anion Salt Hydrates, ACS Applied Engineering Materials, 1, 2614–2625 (2023). DOI:10.1021/acsaenm.3c00392
H. Hao, Y. Liu, S. M. Greene, G. Yang, K. G. Naik, B. S. Vishnugopi, Y. Wang, H. Celio, A. Dolocan, W.-Y. Tsai, R. Fang, J. Watt, P. P. Mukherjee, D. J. Siegel, and D. Mitlin, Tuned Reactivity at the Lithium Metal–Argyrodite Solid State Electrolyte Interphase, Advanced Energy Materials, 2301338 (2023). DOI: 10.1002/aenm.202301338
M. M. Ud Din, L. Ladenstein, J. Ring, D. Knez, S. Smetaczek, M. Kubicek, M. Sadeqi-Moqadam, S. Ganschow, E. Salagre, E. G. Michel, S. Lode, G. Kothleitner, I. Dugulan, J. G. Smith, A. Limbeck, J. Fleig, D. J. Siegel, G. J. Redhammer, and D. Rettenwander, A Guideline to Mitigate Interfacial Degradation Processes in Solid-State Batteries Caused by Cross Diffusion, Advanced Functional Materials, 2303680 (2023). DOI:10.1002/adfm.202303680
P.-C. Tsai, S. Mair, J. Smith, D. M. Halat, P.-H. Chien, K. Kim, D. Zhang, Y. Li, L. Yin, J. Liu, S. H. Lapidus, J. A. Reimer, N. P. Balsara, D. J. Siegel, and Y.-M. Chiang, Double Paddle-Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte, Advanced Energy Materials, 2203284 (2022). DOI:10.1002/aenm.202203284
S. Kiyabu, P. Girard, and D. J. Siegel, Discovery of Salt Hydrates for Thermal Energy Storage, Journal of the American Chemical Society, 144, 21617–21627 (2022). DOI:10.1021/jacs.2c08993
K. Nath, A. Ahmed, D. J. Siegel, and A. J. Matzger, Microscale Determination of Binary Gas Adsorption Isotherms in MOFs, Journal of the American Chemical Society, 144, 20939–20946 (2022). DOI:10.1021/jacs.2c09818
C. Park, S. Shalini, A. Ahmed, T. P. Vaid, K. Kim, A. J. Matzger, and D. J. Siegel, Calculation and Measurement of Salt Loading in Metal-Organic Frameworks, Journal of Physical Chemistry C, 126, 16090–16099 (2022). DOI:10.1021/acs.jpcc.2c04620
K. Kim and D. J. Siegel, Machine Learning Reveals Factors that Control Ion Mobility in Anti-perovskite Solid Electrolytes, Journal of Materials Chemistry A, 10, 15169-15182 (2022). DOI:10.1039/d2ta03613d
K. Nath, A. Ahmed, D. J. Siegel and A. J. Matzger, Computational Identification and Experimental Demonstration of High-Performance Methane Sorbents, Angewandte Chemie International Edition, 61, e202203575, (2022). DOI:10.1002/anie.202203575
J. G. Smith and D. J. Siegel, Ion Migration Mechanisms in the Sodium Sulfide Solid Electrolyte Na3−xSb1−xWxS4, Chemistry of Materials, 34, 4166-4171 (2022). DOI:10.1021/acs.chemmater.2c00526
K. Kim, Y. Li, P.-C. Tsai, F. Wang, S.-B. Son, Y.-M. Chiang, D. J. Siegel, Exploring the Synthesis of Alkali-metal Anti-perovskites, Chemistry of Materials, 34, 947–958 (2022). DOI:10.1021/acs.chemmater.1c02150
S. Yu and D. J. Siegel, Atomic-Scale Simulations of the Solid Electrolyte Li7La3Zr2O12, Chapter 15 in Transition Metal Oxides for Electrochemical Energy Storage, 1st Ed. J. Nanda and V. Augustyn, Editors, 375-391, (2022) WILEY-VCH GmbH. DOI: 10.1002/9783527817252.ch15
J. Cabana, T. Alaan, G. W. Crabtree, M. C. Hatzell, K. Manthiram, D. A. Steingart, I. Zenyuk, F. Jiao, A. Vojvodic, J. Y. Yang, N. P. Balsara, K. A. Persson, D. J. Siegel, C. L. Haynes, J. Mauzeroll, M. Shen, B. J. Venton, N. Balke, J. Rodríguez-López, D. R. Rolison, R. Shahbazian-Yassar, V. Srinivasan, S. Chaudhuri, A. Couet, and J. Hattrick-Simpers, NGenE 2021: Electrochemistry Is Everywhere, ACS Energy Letters, 7, 368–374 (2022). DOI:10.1021/acsenergylett.1c02608
S. Kuthuru, D. Aulakh, J. Purewal, D. J. Siegel, M. Veenstra, and A. J. Matzger, Optimizing Hydrogen Storage in MOFs through Engineering of Crystal Morphology and Control of Crystal Size, Journal of the American Chemical Society, 143, 10727-10734 (2021). DOI:10.1021/jacs.1c04926
D. J. Siegel, L. Nazar, Y.-M. Chiang, C. Fang, and N. P. Balsara, Establishing a Unified Framework for Ion Solvation and Transport in Liquid and Solid Electrolytes, Trends in Chemistry, 3, 807-818 (2021). DOI: 10.1016/j.trechm.2021.06.004
A. Ahmed and D. J. Siegel, Predicting Hydrogen Storage in MOFs via Machine Learning, Patterns, 2, 100291 (2021). DOI: 10.1016/j.patter.2021.100291
K. Kim and D. J. Siegel, Multivalent Ion Transport in Anti-Perovskite Solid Electrolytes, Chemistry of Materials, 33, 2187–2197 (2021). DOI: 10.1021/acs.chemmater.1c00096
H. Park, S. Yu, and D. J. Siegel, Predicting Charge Transfer Stability Between Sulfide Solid Electrolytes and Li Metal Anodes, ACS Energy Letters, 6, 150-157 (2020). DOI:10.1021/acsenergylett.0c02372
M. R. Fuhst and D. J. Siegel, Gas Evolution in Li-ion Batteries: Modeling Ethylene Carbonate Decomposition on LiCoO2 in the Presence of Surface Magnetism, Journal of Physical Chemistry C, 124, 24097-24104 (2020). DOI:10.1021/acs.jpcc.0c07550 (2020).
J. Lowe and D. J. Siegel, Modeling the Interface Between Lithium Metal and its Native Oxide, ACS Applied Materials & Interfaces, 12, 46015-46026 (2020) DOI: 10.1021/acsami.0c12468
F. Wang, H. A. Evans, K. Kim, L. Yin, Y. Li, P.-C. Tsai, J. Liu, S. H. Lapidus, C. M. Brown, D. J. Siegel, and Y.-M. Chiang, Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Anti-perovskite Li2OHCl, Chemistry of Materials, 32, 8481-8491 (2020), DOI: 10.1021/acs.chemmater.0c02602
L. Yin, M. Murphy, K. Kim, L. Hu, J. Cabana, D. J. Siegel, and S. H. Lapidus, Synthesis of Antiperovskite Solid Electrolytes: Comparing Li3SI, Na3SI, and Ag3SI, Inorganic Chemistry, 59, 11244–11247 (2020), DOI: 10.1021/acs.inorgchem.0c01705
K.S. Nagy and D. J. Siegel, Anisotropic Elastic Properties of Battery Anodes, Journal of the Electrochemical Society, 167, 110550 (2020), DOI: 10.1149/1945-7111/aba54c
L. Trahey, F. R. Brushett, N. P. Balsara, G. Ceder, L. Cheng, Y.-M. Chiang, N. T. Hahn, B. J. Ingram, S.D. Minteer, J.S. Moore, K.T. Mueller, L.F. Nazar, K.A. Persson, D.J. Siegel, K. Xu, K. R. Zavadil, V. Srinivasan, G. W. Crabtree, Energy storage emerging: A perspective from the Joint Center for Energy Storage Research, Proceedings of the National Academy of Sciences, 117, 12550-12557 (2020), DOI: 10.1073/pnas.1821672117
J. G. Smith and D. J. Siegel, Low-Temperature Paddlewheel Effect in Glassy Solid Electrolytes, Nature Communications, 11, 1483 (2020), DOI: 10.1038/s41467-020-15245-5
R. Garcia-Mendez, J. G. Smith, J. C. Neuefeind, D. J. Siegel and J. Sakamoto, Correlating Macro and Atomic Structure with Elastic Properties and Ionic Transport of Glassy Li2S-P2S5 (LPS) Solid Electrolyte for solid-State Li Metal Batteries, Advanced Energy Materials 2000335, (2020). DOI: 10.1002/aenm.202000335
N. R. Mathiesen, S. Yang, J. M. García-Lastra, T. Vegge, and D. J. Siegel, Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study, Chemistry of Materials, 31, 9156-9167 (2019), DOI: 10.1021/acs.chemmater.9b03592
K. Kim and D. J. Siegel, Predicting Wettability and the Electrochemical Window of Lithium Metal/Solid Electrolyte Interfaces, ACS Applied Materials & Interfaces, 11, 39940-39950 (2019), DOI: 10.1021/acsami.9b13311
S. Yu, H. Park, and D. J. Siegel, Thermodynamic Assessment of Coating Materials for Solid-State Li, Na, and K Batteries, ACS Applied Materials & Interfaces, 11, 36607-36615 (2019), DOI: 10.1021/acsami.9b11001
J. Purewal, M. Veenstra, D. Tamburello, A. Ahmed, A. J. Matzger, A. G. Wong-Foy, S. Seth, Y. Liu, D. J. Siegel, Estimation of System-Level Hydrogen Storage for Metal-Organic Frameworks with High Volumetric Storage Density, International Journal of Hydrogen Energy, 44, 15135-15145 (2019). DOI: 10.1016/j.ijhydene.2019.04.082
A. Ahmed, S. Seth, J. Purewal, A. G. Wong-Foy, M. Veenstra, A. J. Matzger, and D. J. Siegel, Exceptional Hydrogen Storage Achieved by screening Nearly Half a Million Metal-Organic Frameworks, Nature Communications, 10, 1568 (2019). DOI: 10.1038/s41467-019-09365-w
X. Liu, Y. Chen, Z. D. Hood, C. Ma, S. Yu, A. Sharafi, H. Wang, K. An, J. Sakamoto, D. J. Siegel, Y. Cheng, N. H. Jalarvo and M. Chi, Elucidating the Mobility of H+ and Li+ ions in (Li6.25-xHxAl0.25)La3Zr2O12 via Correlative Neutron and Electron Spectroscopy, Energy & Environmental Science, 12, 945-951 (2019). DOI: 10.1039/c8ee02981d
K. Nagy, S, Kazemiabnavi, K. Thornton, and D. J. Siegel, Thermodynamic Overpotentials and Nucleation Rates for Electrodeposition on Metal Anodes, ACS Applied Materials & Interfaces, 11, 7954-7964 (2019): DOI: 10.1021/acsami.8b19787
K. Kim and D. J. Siegel, Correlating Lattice Distortions, Ion Migration Barriers, and Stability in Solid Electrolytes, J. Mater. Chem. A, 7, 3216-3227 (2019). DOI: 10.1039/C8TA10989C
S. Yu and D. J. Siegel, Grain Boundary Softening: A Potential Mechanism for Lithium Metal Penetration Through Stiff Solid Electrolytes, ACS Applied Materials & Interfaces, 10, 38151-38158 (2018). DOI: 10.1021/acsami.8b17223
E. Kazyak, K-H Chen, A. L. Davis, S. Yu, A. J. Sanchez, J. Lasso, A. R. Bielinski, T. Thompson, J. Sakamoto, D. J. Siegel, and Neil P. Dasgupta, Atomic Layer Deposition and First Principles Modeling of Glassy Li3BO3–Li2CO3 Electrolytes for Solid-State Li-Metal Batteries, Journal of Materials Chemistry A, 6, 19425-19437 (2018). DOI: 10.1039/c8ta08761j
J. G. Smith, G. Vardar, C. W. Monroe, and D. J. Siegel, Experimental and Computational Investigation of Nonaqueous Mg/O2 Batteries. Chapter 11 in Metal–Air Batteries: Fundamentals and Applications, Xin-bo Zhang, Editor. Wiley-VCH Verlag GmbH & Co. KGaA. (2018) DOI: 10.1002/9783527807666.ch11
M. D. Allendorf, Z. Hulvey, T. Gennett, A. Ahmed, T. Autrey, J. Camp, H. Furukawa, M. Haranczyk, M. Head-Gordon, A. Karkamkar, D.-J. Liu, J. R. Long, K. R. Meihaus, I. H. Nayyar, R. Nazarov, D. J. Siegel, V. Stavila, J. J. Urban, S. P. Veccham and B. C. Wood, An Assessment of Strategies for the Development of Solid-State Adsorbents for Vehicular Hydrogen Storage, Energy & Environmental Science, 11, 2784-2812 (2018). DOI: 10.1039/c8ee01085d
J. Lowe and D. J. Siegel, Reaction Pathways for Solvent Decomposition on Magnesium Anodes, Journal of Physical Chemistry C, 122, 10714–10724 (2018). DOI: 10.1021/acs.jpcc.8b01752
S. Kiyabu, J. S. Lowe, A. Ahmed, and D. J. Siegel, Computational Screening of Hydration Reactions for Thermal Energy Storage: New Materials and Design Rules, Chemistry of Materials, 30, 2006-2017 (2018). DOI: 10.1021/acs.chemmater.7b05230 ACS Editors’ Choice Selection. Designated an ACS Most Read Article for March 2018.
Haesun Park, Nitin Kumar, Marko Melander, Tejs Vegge, Juan Maria Garcia Lastra, and D. J. Siegel, Adiabatic and Nonadiabatic Charge Transport in Li-S Batteries, Chemistry of Materials, 30, 915-928 (2018). DOI: 10.1021/acs.chemmater.7b04618
J. Wolfenstine, J. L. Allen, J. Sakamoto, D. J. Siegel, and H. Choe, Mechanical Behavior of Li-ion-conducting Crystalline Oxide-based solid Electrolytes: A Brief Review, Ionics, 24, 1271-1276 (2018), DOI: 10.1007/s11581-017-2314-4
D. Samuel, C. Steinhauser, J. G. Smith, A. Kaufman, M. D. Radin, J. Naruse, H. Hiramatsu, and D. J. Siegel, Ion Pairing and Diffusion in Magnesium Electrolytes Based on Magnesium Borohydride, ACS Applied Materials & Interfaces, 9, 43755-43766 (2017). DOI: 10.1021/acsami.7b15547
S. Yu and D. J. Siegel, Grain Boundary Contributions to Li-ion Transport in the Solid Electrolyte Li7La3Zr2O12 (LLZO), Chemistry of Materials, 29, 9636-9647 (2017). DOI: 10.1021/acs.chemmater.7b02805
Alauddin Ahmed, Yiyang Liu, Justin Purewal, Ly D. Tran, Antek G. Wong-Foy, Mike Veenstra, Adam J. Matzger, and D. J. Siegel, Balancing Gravimetric and Volumetric Hydrogen Density in MOFs, Energy & Environmental Science, 10, 2459-2471 (2017). DOI: 10.1039/C7EE02477K
T. Vegge, J. M. Garcia-Lastra, and D. J. Siegel, Lithium-Oxygen Batteries: At a Crossroads?, Current Opinion in Electrochemistry, 6, 100-107 (2017). DOI: 10.1016/j.coelec.2017.10.014
A. Sharafi, E. Kazyak, A. L. Davis, S. Yu, T. Thompson, D. J. Siegel, N. P. Dasgupta, and J. Sakamoto, Surface Chemistry Mechanism of Ultra-Low Interfacial Resistance in the Solid-State Electrolyte Li7La3Zr2O12, Chemistry of Materials, 29, 7961-7968 (2017). DOI: 10.1021/acs.chemmater.7b03002
Y. Ming, N. Kumar, and D. J. Siegel, Water Adsorption and Insertion in MOF‐5, ACS Omega, 2, 4921-4928 (2017). DOI: 10.1021/acsomega.7b01129
A. Sharafi, S. Yu, M. Naguib, M. Lee, C. Ma, H. M. Meyer, J. Nanda, M. Chi, D. J. Siegel, and J. Sakamoto, Impact of Air Exposure and Surface Chemistry on Li-Li7La3Zr2O12 Interfacial Resistance, Journal of Materials Chemistry A, 5, 13475-13487 (2017). DOI:10.1039/c7ta03162a
H. Park and D. J. Siegel, Tuning the Adsorption of Polysulfides in Lithum-Sulfur Batteries with Metal-Organic Frameworks, Chemistry of Materials, 29, 4932-4939 (2017). DOI:10.1021/acs.chemmater.7b01166 Designated an ACS Most Read Article for May 2017.
J. G. Smith, J. Naruse, H. Hiramatsu, and D. J. Siegel, Intrinsic Conductivity in Magnesium-Oxygen Battery Discharge Products: MgO and MgO2, Chemistry of Materials, 29, 3152–3163 (2017). DOI: 10.1021/acs.chemmater.7b00217
J. Zhong, D. J. Siegel, L. G. Hector, and J. B. Adams, Atomistic Simulations of Adhesion, Indentation and Wear at the Nanoscale, Ch. 25 in “Applied Nanoindentation in Advanced Materials,” Atul Tiwari and Sridhar Natarajan, Editors. John Wiley & Sons, 601-645, (2017). DOI:10.1002/9781119084501.ch25
T. Thompson, S. Yu, L. Williams, R. D. Schmidt, R. Garcia-Mendez, J. Wolfenstine, J. L. Allen, E. Kioupakis, D. J. Siegel, and J. Sakamoto, Electrochemical Window of the Li-ion Solid Electrolyte Li7La3Zr2O12, ACS Energy Letters 2, 462-468 (2017). DOI:10.1021/acsenergylett.6b00593
G. Vardar, J. G. Smith, T. Thompson, K. Inagaki, J. Naruse, H. Hiramatsu, A. Sleightholme, J. Sakamoto, D. J. Siegel, C. W. Monroe, A Mg/O2 Battery Based on the MACC Electrolyte, Chemistry of Materials, 28, 7629-7637 (2016). DOI: 10.1021/acs.chemmater.6b02488
A. F. Chadwick, G. Vardar, S. DeWitt, A. E. S. Sleightholme, C. W. Monroe, D. J. Siegel, and K. Thornton, Computational Model of Magnesium Deposition and Dissolution for Property Determination via Cyclic Voltammetry, Journal of the Electrochemical Society, 163, A1813-A1821 (2016). DOI: 10.1149/2.0031609jes
Y. Ming, J. Purewal, J. Yang, C. Xu, M. Veenstra, M. Gaab, U. Müller, and D. J. Siegel, Stability of MOF-5 in a Hydrogen Gas Environment Containing Fueling Station Impurities, International Journal of Hydrogen Energy, 41, 9374 (2016). DOI: 10.1016/j.ijhydene.2016.03.155
N. Kumar and D. J. Siegel, Interface-Induced Renormalization of Electrolyte Energy Levels in Magnesium Batteries, Journal of Physical Chemistry Letters, 7, 874-881 (2016). DOI: 10.1021/acs.jpclett.6b00091
J. G. Smith, J. Naruse, H. Hiramatsu, and D. J. Siegel, Theoretical Limiting Potentials in Mg/O2 Batteries, Chemistry of Materials, 28, 1390-1401 (2016). DOI: 10.1021/acs.chemmater.5b04501
S. Yu, R. D. Schmidt, R. Garcia-Mendez, E. Herbert, N. J. Dudney, J. B. Wolfenstine, J. Sakamoto, and D. J. Siegel, Elastic Properties of the Solid Electrolyte Li7La3Zr2O12 (LLZO), Chemistry of Materials, 28, 197-206 (2015). DOI: 10.1021/acs.chemmater.5b03854
G. Vardar, E. G. Nelson, J. G. Smith, J. Naruse, H. Hiramatsu, B. M. Bartlett, A. E. S. Sleightholme, D. J. Siegel, and Charles W. Monroe, Identifying the Discharge Product and Reaction Pathway for a Secondary Mg/O2 battery, Chemistry of Materials, 27, 7564 (2015). DOI:10.1021/acs.chemmater.5b03608
M. D. Radin, C. W. Monroe, and D. J. Siegel, Impact of Space Charge Layers on Sudden Death in Li/O2 Batteries, Journal of Physical Chemistry Letters, 6, 3017 (2015). DOI:10.1021/acs.jpclett.5b01015
H. S. Koh, M. K. Rana, A. Wong-Foy, and D. J. Siegel, Predicting Methane Storage in Open-Metal-Site MOFs, Journal of Physical Chemistry C, 119, 13451 (2015). DOI:10.1021/acs.jpcc.5b02768
S. Yang and D. J. Siegel, Intrinsic Conductivity in Sodium-air Battery Discharge Phases: Sodium Superoxide vs. Sodium Peroxide, Chemistry of Materials, 27, 3852 (2015). DOI:10.1021/acs.chemmater.5b00285
M. D. Radin and D. J. Siegel, Non-Aqueous Metal-Air Batteries: Past, Present, and Future, Chapter 18 in “Rechargeable Batteries: Materials, Technologies and New Trends.” Z. Zhang and S. S. Zhang, Editors. Springer (Switzerland), 511 (2015). DOI: 10.1007/978-3-319-15458-9_18
Nitin Kumar, Maxwell D. Radin, Brandon C. Wood, Tadashi Ogitsu, and Donald J. Siegel, Surface-Mediated Solvent Decomposition in Li-air Batteries: Impact of Peroxide and Superoxide Surface Terminations, Journal of Physical Chemistry C, 119, 9050 (2015). DOI:10.1021/acs.jpcc.5b00256
Y. Ming, J. Purewal, J. Yang, C. Xu, R. Soltis, J. Warner, M. Veenstra, M. Gaab, U. Mueller, and D. J. Siegel, Kinetic Stability of MOF-5 in Humid Environments: Impact of Powder Densification, Humidity Level, and Exposure Time, Langmuir, 31, 4988 (2015). DOI:10.1021/acs.langmuir.5b00833
L. D. Griffith, A. E. S. Sleightholme, J. F. Mansfield, D. J. Siegel, and C. W. Monroe, Correlating Li/O2 Cell Capacity and Product Morphology with Discharge Current, ACS Applied Materials & Interfaces, 7, 7670 (2015). DOI: 10.1021/acsami.5b00574
H. Park, H. S. Koh, and D. J. Siegel, First-Principles Study of Redox End-Members in Lithium-Sulfur Batteries, Journal of Physical Chemistry C, 119, 4675 (2015). DOI: 10.1021/jp513023v
M. D. Radin, C. W. Monroe, and D. J. Siegel, How Dopants can Enhance Charge Transport in Li2O2, Chemistry of Materials 27, 839 (2015). DOI: 10.1021/cm503874c
Y. Ming, H. Chi, R. Blaser, C. Xu, J. Yang, M. Veenstra, M. Gaab, U. Müller, C. Uher, D. J. Siegel, Anisotropic Thermal Transport in MOF-5 Composites, International Journal of Heat and Mass Transfer 82, 250 (2015). DOI: 10.1016/j.ijheatmasstransfer.2014.11.053
G. Vardar, A. Sleightholme, J. Naruse, H. Hiramatsu, D. J. Siegel, and C. W. Monroe, Electrochemistry of Magnesium Electrolytes in Ionic Liquids for Secondary Batteries, ACS Applied Materials & Interfaces 6, 18033 (2014). DOI: 10.1021/am5049064
A. Biswas, D. J. Siegel, and D. N. Seidman, Compositional Evolution of Q-Phase Precipitates in an Aluminum Alloy, Acta Materialia 75, 322 (2014). DOI: 10.1016/j.actamat.2014.05.001
F. Tian, M. D. Radin, and D. J. Siegel, Enhanced Charge Transport in Amorphous Li2O2, Chemistry of Materials 26, 2952 (2014). DOI: 10.1021/cm5007372
N. Kumar, K. Leung, and D. J. Siegel, Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn2O4 Cathode, Journal of the Electrochemical Society 161, E3059 (2014). DOI: 10.1149/2.009408jes
M. K. Rana, H. S. Koh, H. Zuberi, and D. J. Siegel, Methane Storage in Metal Substituted MOFs: Thermodynamics, Usable Capacity, and the Impact of Enhanced Binding Sites, Journal of Physical Chemistry C 118, 2929 (2014). DOI: 10.1021/jp4104273
J. Nanda, S. K. Martha, W. D. Porter, H. Wang, N. J. Dudney, M. D. Radin, and D. J. Siegel, Thermophysical Properties of LiFePO4 Cathodes with Carbonized Pitch Coatings and Organic Binders: Experiments and First-Principles Modeling, Journal of Power Sources 251, 8 (2014). DOI: 10.1016/j.jpowsour.2013.11.022
Y. Ming, J. Purewal, D. Liu, A. Sudik, C. Xu, J. Yang, M. Veenstra, K. Rodes, R. Soltis, J. Warner, M. Gaab, U. Muller, and D. J. Siegel, Thermophysical Properties of MOF-5 Powders, Microporous and Mesoporous Materials 185, 235 (2014). DOI: 10.1016/j.micromeso.2013.11.015
J. Goldsmith, A. G. Wong-Foy, M. J. Cafarella, and D. J. Siegel, Theoretical Limits of Hydrogen Storage in Metal-Organic Frameworks: Opportunities and Challenges, Chemistry of Materials 25, 3373 (2013). DOI: 10.1021/cm401978e
M. D. Radin and D. J. Siegel, Charge Transport in Lithium Peroxide: Relevance for Rechargeable Metal-Air Batteries, Energy & Environmental Science 6, 2370 (2013). DOI: 10.1039/C3EE41632A. Part of Themed Issue: “Post Li-ion Batteries.” Thompson Reuters Web of Science Highly Cited Paper (Sept/Oct 2015).
M. K. Rana, H. S. Koh, J. Hwang, and D. J. Siegel, Thermodynamic Screening of Metal-Substituted MOFs for Carbon Capture, Physical Chemistry Chemical Physics 15, 4573 (2013). DOI: 10.1039/C3CP50622C
C. Xu, J. Yang, M. Veenstra, A. Sudik, J. J. Purewal, Y. Ming, B. J. Hardy, J. Warner, S. Maurer, U. Mueller, and D. J. Siegel, Hydrogen Permeation and Diffusion in Densified MOF-5 Pellets, International Journal of Hydrogen Energy, 38, 3268 (2013). DOI: 10.1016/j.ijhydene.2012.12.096
T. J. Wallington, J. E. Anderson, D. J. Siegel, M. A. Tamor, S. A. Mueller. S. L. Winkler, and O.J. Nielsen, Sustainable Mobility, Future Fuels, and the Periodic Table, Journal of Chemical Education 90, 440 (2013).
DOI: 10.1021/ed3004269J. Purewal, D. Liu, A. Sudik, M. Veenstra, J. Yang, S. Maurer, U. Muller, and D. J. Siegel, Improved Hydrogen Storage and Thermal Conductivity in High-Density MOF-5 Composites, Journal of Physical Chemistry C, 116, 20199 (2012) DOI:10.1021/jp305524f
(Invited Article in Special Issue: First Principles Computations) M. D. Radin, F. Tian, and D. J. Siegel, Electronic Structure of Li2O2 (0001) Surfaces. Journal of Materials Science 47, 7564 (2012).
DOI: 10.1007/s10853-012-6552-6D. Liu, J. J. Purewal, J. Yang, A. Sudik, S. Maurer, U. Mueller, J. Ni, and D. J. Siegel, MOF-5 Composites Exhibiting Improved Thermal Conductivity. International Journal of Hydrogen Energy 37, 6109 (2012).
DOI: 10.1016/j.ijhydene.2011.12.129M. D. Radin, J. F. Rodriguez, F. Tian, and D. J. Siegel, Lithium Peroxide Surfaces are Metallic, Lithium Oxide Surfaces are Not. Journal of the American Chemical Society, 134, 1093-1103 (2012). DOI: 10.1021/ja208944x
M. K. Rana, H. S. Koh, J. Hwang, and D. J. Siegel, Comparing van der Waals Density Functionals for CO2 Adsorption in Metal Organic Frameworks, Journal of Physical Chemistry C, 116, 16957 (2012). DOI: 10.1021/jp3051164
J. Purewal, D. Liu, J. Yang, A. Sudik, D. J. Siegel, S. Maurer, and U. Muller, Increased volumetric hydrogen uptake in MOF-5 by powder densification. International Journal of Hydrogen Energy 37, 2723 (2012).
DOI: 10.1016/j.ijhydene.2011.03.002M. D. Radin, J. F. Rodriguez, and D. J. Siegel, Lithium Peroxide Surfaces and Point Defects: Relevance for Li-air Batteries, Proceedings of the Battery Congress, Vol. 60, p. 6-16, (2011). Ann Arbor, MI April 11-12 (2011).
A. Biswas, D. J. Siegel, C. Wolverton, and D. N. Seidman, Precipitates in Al-Cu alloys revisited: Atom-probe tomographic experiments and first-principles calculations of compositional evolution and interfacial segregation. Acta Materialia 59, 6187 (2011). DOI: 10.1016/j.actamat.2011.06.036
J. Yang, A. Sudik, C. Wolverton, and D. J. Siegel, High capacity hydrogen storage materials: Attributes for automotive applications and techniques for materials discovery, Chemical Society Reviews 39, 656 (2010). Thompson Reuters Web of Science Highly Cited Paper (Sept/Oct 2015). DOI: 10.1039/b802882f
A. Biswas, D. J. Siegel, and D. N. Seidman, Simultaneous Segregation at Coherent and Semi-coherent Heterophase Interfaces. Physical Review Letters 105, 076102 (2010). DOI: 10.1103/PhysRevLett.105.076102
S. J. Moura, J. B. Siegel, D. J. Siegel, H. K. Fathy, and A. G. Stefanopoulou, Education on Vehicle Electrification: Battery Systems, Fuel Cells, and Hydrogen, Proceedings of the IEEE Vehicle Power and Propulsion Conference (VPPC10). DOI: 10.1109/VPPC.2010.5729150
A. Sudik, J, Yang, D. J. Siegel, C. Wolverton, R. O. Carter, and A. Drews, Impact of Stoichiometry on the Hydrogen Storage Properties of LiNH2-LiBH4-MgH2 Ternary Composites, Journal of Physical Chemistry C 113, 2004 (2009). DOI: 10.1021/jp807270y
J. Yang, A. Sudik, D. J. Siegel, D. Halliday, A. Drews, R. O Carter, C. Wolverton, G. J. Lewis, J. W. A. Sachtler, J. J. Low, S. A. Faheem, D. A. Lesch, and V. Ozolins, A Self-Catalyzing Hydrogen Storage Material, Angewandte Chemie International Edition 47, 882 (2008). DOI: 10.1002/anie.200703756
C. Wolverton, D. J. Siegel, A. R. Akbarzadeh, and V. Ozolins, Discovery of Novel Hydrogen Storage Materials: An Atomic Scale Computational Approach, Journal of Physics: Condensed Matter 20, 064228 (2008).
DOI: 10.1088/0953-8984/20/6/064228D. J. Siegel, C. Wolverton, and V. Ozolins, Thermodynamic Guidelines for the Prediction of Hydrogen Storage Reactions and their Application to Destabilized Hydride Mixtures, Physical Review B 76, 134102 (2007).
DOI: 10.1103/PhysRevB.76.134102D. J. Siegel, C. Wolverton, and V. Ozolins, First Principles Study of the Crystal Structure and Dehydrogenation Pathways of Li4BN3H10, Physical Review B 75, 014101 (2007). DOI: 10.1103/PhysRevB.75.014101
J. Yang, A. Sudik, D. J. Siegel, D. Halliday, A. Drews, R. Carter, C. Wolverton, G. J. Lewis, J. W. A. Sachtler, J. J. Low, S. A. Faheem, D. A. Lesch, V. Ozolins, Hydrogen Storage Properties of 2 LiNH2 + LiBH4 + MgH2, Journal of Alloys and Compounds 446-447, 345 (2007). DOI: 10.1016/j.jallcom.2007.03.145
G. J. Lewis, J. W. A. Sachtler, J. J. Low, D. A. Lesch, S. A. Faheem, P. M. Dosek, L. M. Knight, C. M. Jensen, J. Yang, A. Sudik, D. J. Siegel, C. Wolverton, V. Ozolins, and S. Zhang, High-Throughput Screening of the Ternary LiNH2-MgH2-LiBH4 Phase Diagram, Journal of Alloys and Compounds 446-447, 355 (2007).
DOI: 10.1016/j.jallcom.2007.04.028D. J. Siegel, Generalized Stacking Fault Energies, Ductilities, and Twinnabilities of Ni and Selected Ni Alloys, Applied Physics Letters 87, 121901 (2005). DOI: 10.1063/1.2051793
D. J. Siegel and J. C. Hamilton, Computational Study of C Segregation and Diffusion within a Ni Grain Boundary, Acta Materialia 53, 87 (2005). DOI: 10.1016/j.actamat.2004.09.006
D. J. Siegel, M. van Schilfgaarde, J. C. Hamilton, Understanding the Magnetocatalytic Effect: Magnetism as a Driving Force for Surface Segregation, Physical Review Letters 92, 086101 (2004).
DOI: 10.1103/PhysRevLett.92.086101D. J. Siegel and J. C. Hamilton, First-Principles Study of the Solubility, Diffusion, and Clustering of C in Ni, Physical Review B 68, 094105 (2003). DOI: 10.1103/PhysRevB.68.094105
J. C. Hamilton, D. J. Siegel, I. Daruka, F. Leonard, Why do Grain Boundaries Exhibit Finite Facet Lengths?, Physical Review Letters 90, 246102 (2003). DOI: 10.1103/PhysRevLett.90.246102
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, Ab initio Study of Al-Ceramic Interfacial Adhesion, Physical Review B 67, 092105 (2003). DOI: 10.1103/PhysRevB.67.092105
Y. Li, D. J. Siegel, J. B. Adams, X-Y Liu, Embedded-Atom Method Ta Potential Developed by the Force-Matching Method, Physical Review B 67, 125101 (2003). DOI: 10.1103/PhysRevB.67.125101
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, First-Principles Study of Metal–carbide/nitride Adhesion: Al/VC vs. Al/VN, Acta Materialia 50, 619 (2002). DOI: 10.1016/S1359-6454(01)00361-5
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, Adhesion, Stability, and Bonding at Metal/Metal-Carbide Interfaces: Al/WC, Surface Science 498, 321 (2002). DOI: 10.1016/S0039-6028(01)01811-8
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, Adhesion, Atomic Structure, and Bonding at the Al(111)-Al2O3 (0001) Interface: A First Principles Study, Physical Review B 65, 085415 (2002). DOI: 10.1103/PhysRevB.65.085415
L. G. Hector, Jr., G. A. Nitowski, S. M. Opalka, L. Weiserman, D. J. Siegel, H. Yu, J. B. Adams, Investigation of Vinyl Phosphonic Acid/Hydroxylated α-Al2O3(0001) Reaction Enthalpies, Surface Science 494, 1 (2001).
DOI: 10.1016/S0039-6028(01)01387-5J. B. Adams, L. G. Hector, Jr, D. J. Siegel, H. Yu, J. Zhong, Y. T. Cheng, Adhesion, Lubrication, and Wear on the Atomic Scale, Surface and Interface Analysis 31, 619 (2001). DOI: 10.1002/sia.1089
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, Stoichiometry and Adhesion of Al/WC, Materials Research Society Symposium Proceedings 677, AA.4.26, (2001). DOI: 10.1557/PROC-677-AA4.25
D. J. Siegel, L. G. Hector, Jr, and J. B. Adams, Electronic Structure and Bonding at the Al-Terminated Al/Al2O3 Interface: A First-Principles Study, Materials Research Society Symposium Proceedings 654, AA 4.2, (2001).
DOI: 10.1557/PROC-654-AA4.2.1A. Landa, P. Wynblatt, D. J. Siegel, J.B. Adams, O.N. Mryasov, and X.Y. Liu, Development of Glue-type Potentials for the Al-Pb System: Phase Diagram Calculation, Acta Materialia 48, 1753 (2000).
DOI: 10.1016/S1359-6454(00)00002-1L.G. Hector, Jr., D. J. Siegel, and J.B. Adams, Atomistic Simulation of Adhesion and Adhesive Transfer at Metal/Metal-Oxide Interfaces, Proc. INTEGRATION OF MATERIAL, PROCESS AND PRODUCT DESIGN, N. Zabras, R. Becker, S. Ghosh, and L Lalli, Eds., p.39-46 (1999) A. A. Balkema Publishers, Leiden, Netherlands, ISBN: 90-5809-101-5
P.L. Taylor and D. J. Siegel, Approach to Equilibrium in Cholesteric Liquid Crystals, Condensed Matter & Materials Physics (CMMP’95) Proc. Institute of Physics, London, p.93 (1996).
Invited presentations
Electrochemical Society (ECS) PRiME 2024 Meeting, Symposium F02 “Modeling Electrochemical Systems for Transportation Applications,” October 6-11, 2024, Honolulu, HI.
Texas Tech University, Department of Mechanical Engineering, April 15, 2024, Lubbock, TX
Texas A&M University, Department of Materials Science and Engineering, November 13, 2023, College Station, TX
4th World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors, September 4-8, 2023, Tromsø, Norway
IBA2023 International Conference, International Battery Association, March 5-10, 2023, Austin, TX.
Royal Society of Chemistry, “Understanding Fast-ion Conduction in Solid Electrolytes,” November 13-15, 2022, Lancaster, UK.
Texas A&M University, Department of Mechanical Engineering, October 5, 2022, College Station, TX.
Telluride Science Research Center Workshop on “Materials Chemistry in Electrochemical Energy Storage,” September 26-30, 2022, Telluride, CO.
Modeling and Design of Molecular Materials, September 19-22, 2022, Gdańsk, Poland.
Euromech Colloquium: MULTISCALE MECHANICS, MULTIPHYSICS MODELING AND SIMULATIONS FOR ENERGY STORAGE, August 29-31, 2022, Sirmione, Lake Garda, Italy.
15th World Congress on Computational Mechanics, Symposium on “Multiscale and Multiphysics Modelling of the Structural and Mechanical Properties of Energy Storage Materials” July 31-August 5, 2022, Yokohama, Japan.
23rd International Conference on Solid State Ionics (SSI-23), July 17-22, Boston, MA.
Case Western Reserve University, Department of Mechanical and Aerospace Engineering, April 12, 2022, Cleveland, OH.
Purdue University, Mechanical Engineering Department, April 11, 2022, West Lafyette, IN.
Gordon Research Conference – Batteries, June 5-15, 2022, Ventura, CA.
American Chemical Society (ACS) Spring Meeting, Symposium on “Electrolytes and Interfaces in Energy Storage,” March 20-24, 2022, San Diego, CA.
MRS 2021 Fall Meeting, Symposium on “Advanced Materials for Hydrogen and Fuel Cell Technologies,” Nov. 28 – Dec. 3, 2021, Boston, MA.
Thailand Machine Learning for Chemistry Competition, October 22nd, 2021.
MRS 2021 Spring Meeting, Symposium on “Progress in Understanding Charge Transfer at Electrochemical Interfaces in Batteries,” April 18-23, 2021, Seattle, WA.
International Workshop on Energy Storage Technology for E-mobility, March 25-27, 2021, Chennai, India. Sponsored by the Energy Science Society of India. (Held virtually due to coronavirus pandemic.)
Nano Korea 2020, session on ‘Nanotechnology for Next Generation Batteries,’ July 1-3, 2020, Goyang – Korea International Exhibition Center (KINTEX), South Korea. Held virtually due to coronavirus pandemic.
3rd International Conference on Hydrogen & Fuel Cell Technologies, March 20-22, 2020, Hammamet, Tunisia. Postponed and held virtually during Nov. 14-15, 2020 due to coronavirus pandemic.
Gordon Research Conference – Batteries, February 16-21, 2020, Ventura, CA.
Technical University of Denmark (DTU), Department of Energy Conversion and Storage Department Colloquium, February 14, 2020, Lyngby, Denmark.
Electrochemical Society (ECS) Fall Meeting, Symposium A07 “Solid State Batteries,” October 13-17, 2019, Atlanta, GA.
Electrochemical Society (ECS) Fall Meeting, Symposium I05 “Crosscutting Materials Innovation for Transformational Chemical and Electrochemical Energy Conversion Technologies,” October 13-17, 2019, Atlanta, GA.
XIX International Congress of the Mexican Hydrogen Society, Materials Institute Research (IIM) Morelia Unit, Mexican National Autonomous University, October 1-4, 2019, Morelia City, Michoacán, Mexico.
2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors, September 24-27, 2019, Shizuoka, Japan.
Moscow State University – Skoltech 4th International Conference of Young Scientists, September 15-18, Moscow, Russia.
XXI Mendeleev Congress of General and Applied Chemistry, Symposium on “Elemental Materials for Electrochemical Energy,” September 9-13, 2019, St. Petersburg, Russia.
American Chemical Society (ACS) Fall Meeting, Symposium on “Advances in Fundamental Research for Energy Storage Beyond Lithium Ion,” August 25-29, 2019, San Diego, CA.
ECS ECEE 2019: Electrochemical Conference on Energy and the Environment: Bioelectrochemistry and Energy Storage, symposium on “Mass and Charge Transfer across Electrochemical Interfaces,” July 21-26, 2019, Glasgow, Scotland.
ICE 2019: International Conference on Electroceramics, July 14-19, 2019, Lausanne, Switzerland.
Gordon Research Conference on Hydrogen-Metal Systems, session on “Advancements in Porous Materials for Hydrogen Adsorption,” June 30-July 5, 2019, Barcelona, Spain.
‘NGenE’ Next Generation Electrochemistry Summer Institute, University of Illinois at Chicago, June 3-7, 2019, Chicago, IL.
MRS 2019 Spring Meeting, Symposium S-19 ES04 “Solid-State Electrochemical Energy Storage,” April 22-26, 2019, Phoenix, AZ.
Argonne National Laboratory, Materials Science Division Colloquium, April 4, 2019, Argonne, IL.
American Chemical Society (ACS) 257th National Meeting, symposium on “Innovative Chemistry and Materials for Electrochemical Energy Storage,” March 31-April 4, 2019, Orlando, FL.
TMS 2019 Annual Meeting, 5th Symposium on Advanced Materials for Energy Conversion and Storage, March 10-14, 2019, San Antonio, TX.
Korea Institute of Science and Technology, Center for Energy Storage Research, February 20, 2019, Seoul, South Korea.
Seoul National University, School of Chemical and Biological Engineering, February 19, 2019, Seoul, South Korea.
Korea Advanced Institute of Science & Technology (KAIST), Department of Chemistry – School of Molecular Science, BK21 Lectureship, February 18, 2019, Daejeon, South Korea.
University of Illinois at Urbana-Champaign, Materials Science and Engineering Department Colloquium, November 12, 2018, Urbana, IL.
3rd National Conference on Materials for Energy Conversion and Storage, October 18-20, 2018, IIT-BHU, Varanasi, India
2nd Bosch Energy Research Network (BERN) Symposium on Innovative Energy Research, September 6-7, 2018, Sunnyvale, CA.
Electrochemical Society (ECS) Fall Meeting, “12th Solid State Ionic Devices (SSID 12) Symposium,” September 30 - October 4, 2018, Cancun, Mexico.
Electrochemical Society (ECS) Fall Meeting, symposium on “Batteries and Energy Storage,” September 30 - October 4, 2018, Cancun, Mexico.
American Chemical Society’s 256th National Meeting, symposium on “Electrochemical Interfaces,” August 19-23, 2018, Boston, MA.
American Chemical Society’s 256th National Meeting, symposium on “Nanoscience of Energy Storage,” August 19-23, 2018, Boston, MA.
3rd Li-SM3 Conference: Lithium-Sulfur Batteries: Mechanisms, Modelling and Materials, April 25-26, 2018, Chicago, IL.
TMS 2018 Spring Meeting, Symposium on “Materials for Energy Conversion and Storage,” March 11-15, 2018, Phoenix, AZ.
Northwestern University, Materials Science and Engineering Department Seminar, September 26, 2017. Evanston, IL.
Indian Institute of Science Education and Research (IISER-BPR), September 4, 2017, Berhampur, India.
1st World Congress on Lithium Garnets, Competitors and Beyond for Advanced Batteries, September 6-9, 2017, Puducherry, India.
Telluride Science Research Center, Computational Materials Chemistry Workshop, August 7-11, 2017, Telluride, CO.
Bosch Energy Research Network Symposium on Innovative Energy Research, July 27-28, 2017, Palo Alto, CA.
Waterloo Institute for Nanotechnology, University of Waterloo, May 8, 2017, Waterloo, ON, Canada.
MRS 2017 Spring Meeting, Symposium on “Mechanics of Energy Storage and Conversion,” April 17-21, 2017, Phoenix, AZ.
TMS 2017 Annual Meeting & Exhibition, Symposium on “Advanced Materials for Energy Conversion and Storage,” February 26 – March 2, San Diego, CA.
TMS 2017 Annual Meeting & Exhibition, Symposium on “Computational Materials Discovery and Optimization – From Bulk to Materials Interfaces and 2D Materials,” February 26 – March 2, San Diego, CA.
XXV International Materials Research Congress (IMRC), August 14-19, 2016. Cancun, Mexico.
Danish Battery Society Annual Symposium, April 7th, 2016. Copenhagen, Denmark.
Technical University of Denmark (DTU), Department of Energy Conversion and Storage Department Colloquium, February 1st, 2016, Lyngby, Denmark.
University of Florida Material Science/Mechanical & Aerospace Engineering Seminar, December 7th, 2015, Gainesville, FL.
Nordic Battery Conference (NORDBATT2), December 2-3, 2015, Trondheim, Norway.
Lithium Battery Power 2015, November 17-19, 2015, Baltimore, MD.
Electrochemical Society (ECS) Fall Meeting, October 11-16, 2015, Phoenix, AZ.
NSF workshop on “Rise of Data in Materials Research,” June 29-30, 2015, College Park, MD.
Telluride Science Research Center, Computational Materials Chemistry Workshop, June 23-27, 2015, Telluride, CO.
American Ceramic Society – 11th International Conference on Ceramic Materials and Components for Energy and Environmental Applications (CMCEE), June 14-19, 2015, Vancouver, British Columbia, Canada.
American Chemical Society National Meeting, symposium on “Natural Resource Capture, Storage and Energy Conversion,” March 22-26, 2015, Denver, CO.
American Chemical Society National Meeting, symposium on “2D Materials for Energy and Fuel,” March 22-26, 2015, Denver, CO.
U.S. Department of Energy Hydrogen Storage Workshop, January 27-29, 2015, National Renewable Energy Laboratory, Golden, CO.
University of Michigan Transportation Research Institute (UMTRI), Automotive Futures Conference: Inside China: Understanding China’s Current and Future Automotive Industry, November 12, 2014, Ann Arbor, MI.
The Battery Show, September 16-18, 2014, Novi, MI.
U.S.-China Electric Vehicle and Battery Technology Workshop, August 18-19, 2014, Seattle, WA.
Telluride Science Research Center, Battery Materials Workshop, July 14-18, 2014, Telluride, CO.
1st International Symposium on Sustainable Secondary Battery Manufacturing and Recycling, June 29-July 4, 2014, Cancun, Mexico
U.S. Nat. Congress on Theoretical and Applied Mechanics, June 15-20, 2014, East Lansing, MI
SIT Investment Associates’ Annual Client Workshop, Feb. 13-16, 2014, Carlsbad, CA
Gilbreth Lecture: NAE National Meeting, Feb. 6, 2015, Irvine, CA
American Ceramic Society -- Electronic Materials & Applications Conference, January 22-24, 2014, Orlando, FL.
8th U.S.-China Electric Vehicle and Battery Technology Workshop, September 20-22, 2013, Chengdu, China.
The Battery Show, September 17-19, 2013 Novi, Michigan.
2nd ReLiable Li-Air Workshop, September 9-10, 2013 Copenhagen, Denmark
Denso Research Laboratories, August 23, 2013, Nisshin, Japan.
RIKEN Advanced Science Institute, August 22, 2013, Wako, Japan.
American Chemical Society National Meeting, “Chemical Mechanisms in Advanced Materials,” September 8-12, 2013, Indianapolis.
Beyond Lithium Ion VI Conference, June 4-6, 2013, Boulder, Colorado.
U.S. National Academy of Sciences Indo-American Frontiers of Science Symposium, April 7-10, 2013, Agra, India.
Detroit Section of the Electrochemical Society, February 20, 2013, Southfield, MI.
U.S. Dept. of Energy, Adsorbent Hydrogen Storage Workshop, Nov. 27, 2012, Washington, D.C.
Denso International America Inc., Research and Engineering Division, June 29, 2012, Southfield, MI.
WHEC 2012, World Hydrogen Energy Conference, June 3-7, 2012, Toronto, Canada.
5th US-China Electric Vehicle and Battery Technology Workshop, April 16-17, 2012, Hangzhou, China.
U.S. National Academy of Engineering-Alexander von Humboldt German-American Frontiers of Engineering Symposium, March 28-31, 2012, Potsdam, Germany.
American Chemical Society National Meeting, “Integrating Theory and Experiment for Discovering the Fundamental Chemistry of the Li-air and Other Metal-air Battery Systems,” March 25-29, 2012, San Diego.
TMS 2012 Annual Meeting, “Solid-State Interfaces II: Toward an Atomic-Scale Understanding of Structure, Properties, and Behavior Through Theory and Experiment,” March 11-15, 2012, Orlando.
Electronic Materials & Applications Conference, symposium on “Energy Storage Materials and Systems,” Jan. 18-20, 2012, Orlando.
4th US-China Electric Vehicle and Battery Technology Workshop, August 4-5, 2011, Argonne, IL.
Frontiers of Energy Materials Workshop, Penn State, May 18, 2011.
General Motors R&D Center, Warren, MI, Aug. 10, 2011.
MS&T 2011, “7th Annual Symposium on Phase Stability, Diffusion, Kinetics, and Their Applications (PSDK),” October 2011, Columbus.
TMS 2011 Annual Meeting, 10th Symposium on “Computational Thermodynamics and Kinetics of Materials, ” March 2011, San Diego
Chemistry Department Seminar, University of Detroit Mercy, Nov. 9, 2010.
MRS 2010 Spring Meeting, Symposium Y: “Computational Approaches to Materials for Energy,” April 2010, San Francisco
School of Mechanical, Aerospace, Chemical, and Materials Engineering, Arizona State University, Nov. 13, 2009, Tempe, AZ
Physics Department Colloquium, Case Western Reserve University, Oct. 1, 2009, Cleveland, OH.
XVIII International Materials Research Congress 2009, August 16-21, Cancun, Mexico.
NIST Workshop on Atomistic Simulations for Industrial Needs, April 27-28, 2009, Gaithersburg, MD.
Japan Institute of Metals 2009 Spring Meeting, Session S1: “Hydrogen Storage Materials,” March 28-30, Tokyo, Japan.
APS 2009 March Meeting, Invited Session: “Computational Design of Hydrogen Storage Materials,” March 16-20, Pittsburgh, PA.
Chemical Engineering and Materials Science Dept. Colloquium, Michigan State University, March 5, 2009, East Lansing, MI.
MRS 2009 Spring Meeting “Symposium HH: Quantitative Characterization of Nanostructured Materials,” April 13-17, San Francisco, CA.
MS&T’08 Conference “Discovery and Optimization of Materials through Computational Design,” October 5-9, Pittsburgh, PA.
NIST Workshop “Atomistic Simulations for Industrial Needs,” April 28-29, 2008, Gaithersburg, MD.
MRS 2008 Spring Meeting “DOE Theory Focus Session on Hydrogen Storage Materials,” March 24, San Francisco.
TMS Annual Meeting: “Career Forum,” March 2008, New Orleans.
University of Michigan, Guest Lecture for MSE 250, Materials for Energy, Nov. 2007.
Erwin Schrodinger Institute–University of Vienna, Theory Meets Industry Workshop, 12 June 2007
University of Michigan, Materials Science and Engineering Colloquium, 2 February 2007
Lawrence Livermore National Laboratory, Metals and Alloys Group, 14 April 2005
University of Texas at El Paso, Department of Physics Colloquium, 6 April 2005
Ford Research Laboratory, Physical and Environmental Sciences Department, 4 April 2005
Pacific Northwest National Laboratory, Energy Science and Technology Directorate, Jan. 2005
University of Tennessee, Department of Materials Science and Engineering, October 2004
Oak Ridge National Laboratory, Joint Institute for Computational Sciences, October 2004
CECAM Workshop on Oxide-Metal Interfaces: Progress and Challenges, October 2001, Lyon, France
Advances in Surface Engineering—Fundamentals and Applications, Materials Research Society Meeting, November 2001, Boston, MA
NIST Workshop on Modeling and Simulation of Structure Formation in Liquid Crystals, Polymers, and their Mixtures, June 1995, Gaithersburg, MD
Patents, patent applications, and invention disclosures
Patent US 7,790,133: Multi-component Hydrogen Storage Material, Assigned 9/7/2010. Inventors: Faheem; Syed A., Lewis; Gregory J., Sachtler; J.W. Adriaan, Low; John J., Lesch; David A., Dosek; Paul M., Wolverton; Christopher M., Siegel; Donald J., Sudik; Andrea C., Yang; Jun
Patent US 8,038,980: Hydrogen Storage Materials Containing Ammonia Borane , Assigned 10/18/2011. Inventors: Yang; Jun, Sudik; Andrea, Siegel; Donald J., Hirano; Shinichi, Drews; Andrew Robert, Wolverton; Christopher Mark
Patent US 8,418,841: Method of Enhancing Thermal Conductivity in Hydrogen Storage Systems, Assigned 4/16/2013. Inventors: Yang; Jun, Siegel; Donald J., Pulskamp; Andrea, Drews; Andrew Robert, Hirano; Shinichi, Wolverton; Christopher Mark
Patent US 8,790,616: Hybrid Hydrogen Storage System and Method of Using the Same, Assigned 7/29/2014. Inventors: Pulskamp; Andrea, Yang; Jun, Siegel; Donald J., Veenstra; Michael Jon
Patent US 8,883,117: Method of Enhancing Thermal Conductivity in Hydrogen Storage Systems, Assigned 11/11/2014. Inventors: Yang; Jun, Siegel; Donald J., Pulskamp; Andrea, Drews; Andrew Robert, Hirano; Shinichi, Wolverton; Christopher Mark
Patent US 8,899,096: High-throughput modular hydrogen storage engineering properties analyzer, Assigned 12/2/2014. Inventors: Del Zio; Michael Robert, Yang; Jun, Pulskamp; Andrea, Hirano; Shinichi, Siegel; Donald J.
Patent US 8,968,942 Metal oxygen battery containing oxygen storage materials. Assigned 3/3/2015. Inventors: Pulskamp; Andrea, Drews; Andrew Robert, Siegel; Donald J., Blakemore; Bruce C., Brost; Ronald D., Yang; Jun, Hirano; Shinichi, Tamor; Michael A.
Patent US 9,960467B2: Magnesium Oxygen Battery. Assigned 5/1/2018. Inventors: Junichi Naruse, Donald Siegel, Jeffrey Smith, Gulin Vardar, and Charles Monroe. Published June 1st, 2017.
USPTO Application 12/233,246; Publication #US20100068134 A1: Methods of Enhancing Kinetic Properties of Hydrogen Storage Materials by Self-Catalysis, Published 3/18/2010
USPTO Application 61/097,999; Publication #US20100233076 A1: Hydrogen Storage Materials, Published 9/16/2010
USPTO Application 14/955,484; Publication #US2016285108A1: Rechargeable Magnesium Oxygen Battery, Filed 12/1/2015. Inventors: Junichi Naruse, Donald Siegel, Jeffrey Smith, Gulin Vardar, and Charles Monroe. Published September 29, 2016.
USPTO Application 14/955,618; Magnesium Oxygen Battery, Filed 12/1/2015. Inventors: Junichi Naruse and Donald Siegel.
USPTO Provisional Patent Application 623/738,385; Systems And Methods For Improved Solid-State Electrolytes, Filed 09/28/2018. Inventors: D.J. Siegel and K. Kim.
U.S. Patent Application 17/581,356; Salt Hydrate Compositions for Thermal Energy Storage Systems, Filed 01/21/22. Inventors: D. J. Siegel and Steven Kiyabu.
(Invention Disclosure) Efficient Carbon Capture Materials, UM Office of Tech Transfer file #5625. Siegel is lead inventor.
(Invention Disclosure) Improved Performance in Rechargeable Metal-Air Batteries via Fermi-Level Tuning, UM Office of Tech Transfer file #5597. Siegel is lead inventor.
U.S. Patent Application 63/331,559; High-Performance Metal-Organic Frameworks as Methane Sorbents and Computational Identification Methods, Filed 04/15/2022. Inventors: Donald Siegel, Alauddin Ahmed, Karabi Nath and Adam Matzger
