Publications
Find published journal articles and presentations about HyMARC research activities and results.
| Title | Year | Authors | Journal/Book Title |
|---|---|---|---|
| A Free Energy Decomposition Analysis: Insight Into Binding Thermodynamics From Absolutely Localized Molecular Orbitals | 2023 | J. J. Talbot, R. Chakraborty, H. Y. Shen, M. Head-Gordon | Journal of Physical Chemistry Letters |
| A Nanoscale Ternary Amide-rGO Composite With Boosted Kinetics For Reversible H2 Storage | 2023 | C. Dun, S. C. Li, L. F. Chen, R. D. Horton, M. D. Allendorf, B. C. Wood, V. Stavila, J. J. Urban | Advanced Materials Interfaces |
| Assessment of Materials-Based Options for On-Board Hydrogen Storage for Rail Applications | 2023 | M. D. Allendorf, L. Klebanoff, V. Stavila, M. Witman | Sandia National Laboratories |
| Assessment of tank designs for hydrogen storage on heavy duty vehicles using metal hydrides | 2023 | M. D. Allendorf, R. Horton, V. Stavila, M. Witman | Sandia National Laboratories |
| Balancing Molecular Level Influences of Intermolecular Frustrated Lewis Pairs (FLP) For Successful Design of FLP Catalysts For Hydrogen Storage Applications | 2023 | G. A. Russell-Parks, T. Gennett, B. G. Trewyn | International Journal of Hydrogen Energy |
| Elucidating Primary Degradation Mechanisms in High-Cycling-Capacity, Compositionally Tunable High-Entropy Hydrides | 2023 | R. B. Strozi, M. Witman, V. Stavila, J. Cizek, K. Sakaki, H. Kim, O. Melikhova, L. Perrière, A. Machida, Y. Nakahira, G. Zepon, W. J. Botta, C. Zlotea | ACS Appliance Materials Interfaces |
| Heterogenization of Homogeneous Ruthenium(II) Catalysts For Carbon-Neutral Dehydrogenation of Polyalcohols | 2023 | A. N. Hellman, N. A. Torquato, M. E. Foster, C. Dun, J. E. Reynolds, C. J. Yu, A. D. Tran, M. Shivanna, G. F. H. Garcia, J. Yang, Y. Chen, J. Su, J. J. Urban, M. D. Allendorf, V. Stavila | ACS Applied Energy Materials |
| High-Throughput Screening of Hypothetical Metal-Organic Frameworks For Thermal Conductivity | 2023 | M. Islamov, H. Babaei, R. Anderson, K. B. Sezginel, J. R. Long, A. J. H. McGaughey, D. A. Gomez-Gualdron, C. E. Wilmer | NPJ Computational Materials |
| Influence of Near-Surface Oxide Layers on TiFe Hydrogenation: Mechanistic Insights and Implications for Hydrogen Storage Applications | 2023 | A. Santhosh, S. Y. Kang, N. Keilbart, B. C. Wood, T. Klassen, P. Jerabek, M. Dornheim | Journal of Materials Chemistry A |
| Multivariate Flexible Framework With High Usable Hydrogen Capacity in a Reduced Pressure Swing Process | 2023 | A. Halder, R. A. Klein, S. Shulda, G. A. McCarver, P. A. Parilla, H. Furukawa, C.M. Brown, C. M. McGuirk | Journal of the American Chemical Society |
| NiMo-Bi Liquid Alloy Catalyst For Efficient Hydrogen Production From Methane Pyrolysis | 2023 | L. N. Chen, Z. G. Song, S. C. Zhang, C. K. Chang, Y. C. Chuang, X. X. Peng, C. Dun, J. J. Urban, J. H. Guo, J. L. Chen, D. Prendergast, M. Salmeron, G. Somorjai, A. Su, J. Ternary | Science |
| Towards Pareto Optimal High Entropy Hydrides via Data-Driven Materials Discovery | 2023 | M. D. Witman, S. L. Ling, M. Wadge, A. Bouzidi, N. Pineda-Romero, R. Clulow, G. Ek, J. M. Chames, E. J.Allendorf, S. Agarwal, M. D. Allendorf, G. S. Walker, D. M.Grant, M. Sahlberg, C. Zlotea, V. Stavila | Journal of Materials Chemistry A |
| Using Earth Abundant Materials For Long Duration Energy Storage: Electro-Chemical and Thermo-Chemical Cycling of Bicarbonate/Formate | 2023 | O. Y. Gutiérrez, K. Grubel, J. Kothandaraman, J. A. Lopez-Ruiz, K. P. Brooks, M. E. Bowden, T. Autrey | Green Chemistry |
| Analysis of Intermediates Products from the Dehydrogenation of Mg(BH4)2 | 2022 | I. H. Nayyar, B. Ginovska, M. Bowden, G. Edvenson, B. Tran, T. Autrey | The Journal of Physical Chemistry A |
| Challenges to developing materials for the transport storage of hydrogen | 2022 | M.D. Allendorf, V. Stavila, J. L. Snider, M. Witman, M. E. Bowden, K. Brooks, B. L. Tran, T. Autrey | Nature Chemistry |
| Cost potential of metal–organic frameworks for hydrogen back-up power supply | 2022 | P. Peng, A. Anastasopoulou, K. Brooks, H. Furukawa, M. E. Bowden, J. R. Long | Nature Energy |
| Densified HKUST-1 Monoliths as a Route to High Volumetric Gravimetric Hydrogen Storage Capacity | 2022 | D. G. Madden, D. O’Nolan, N. Rampal, R. Babu, C. Çamur, A. N. Al Shakhs, et al | J. Am. Chem. Soc |
| First-Principles Elucidation of Initial Dehydrogenation Pathways in Mg(BH4)2. | 2022 | L. F. Wan, T. Autrey, B. C. Wood | The Journal of Physical Chemistry Letters |
| Fluorescent Probe of Aminopolymer Mobility in Bulk in Nanoconfined Direct Air CO2 Capture Supports | 2022 | H. Correll, N. Leick, R. E. Mow, G. A. Russell-Parks, S. H. Pang, T. Gennett | The Journal of Physical Chemistry C |
| Heteroatom-Doped Graphenes as Actively Interacting 2D Encapsulation Media for Mg-Based Hydrogen Storage | 2022 | Y. J. Cho, S. Y. Kang, B. C. Wood, E. S. Cho | ACS Appl. Mater. Interfaces |
| Hydrogen storage in complex hydrides: past activities new trends | 2022 | E. M. M. Dematteis, M. B. Amdisen, T. Autrey, J. Barale, M. Bowden, C. E. Buckley, et al | Progress in Energy |
| Hydrogen Storage Performance of Preferentially Oriented Mg/rGO Hybrids | 2022 | C. Dun, S. Jeong, D. H. Kwon, S. Y. Kang, V. Stavila, Z. Zhang, J.-W. Lee, T. M. Mattox, T. W. Heo, B. C. Wood, J. J. Urban | Chemistry of Materials |
| Magnesium- intermetallic alloys-based hydrides for energy storage: modelling, synthesis properties | 2022 | L. Pasquini, K. Sakaki, E. Akiba, M. D. Allendorf, E. Alvares, J. R. Ares, D. Babai, M. Baricco, J. B. von Colbe, M. Bereznitsky, et al | Progress in Energy |
| Reactive Vapor-Phase Additives toward Destabilizing γ-Mg(BH4)2 for Improved Hydrogen Release | 2022 | N. A. Strange, N. Leick, S. Shulda, A. Schneemann, V. Stavila, A.S. Lipton, et al | ACS Applied Energy Materials |
| Research development of hydrogen carrier based solutions for hydrogen compression storage | 2022 | M. Dornheim, L. Baetcke, E. Akiba, J. R. Ares, T. Autrey, J. Barale, M. Baricco, et al | Prog. Energy |
| Reveal the Alignment of Defects in a Metal-Organic Framework with Tunable Flexibility | 2022 | Y. Fu, A. Forse, Z. Kang, M. Cliffe, W. Cao, J. Yin, L. Gao, Z. Pang, T. He, Q. Chen, Q. Wang, J. Long, J. Reimer, X. Kong | Research Square |
| Reversible dehydrogenation rehydrogenation of cyclohexane methylcyclohexane by single-site platinum catalyst | 2022 | L. Chen, P. Verma, K. Hou, Z. Qi, S. Zhang, Y. S. Liu, J. Guo, V. Stavila | Nature Communications |
| The influence of LiH TiH2 on hydrogen storage in MgB2 II. XPS study of surface near-surface phenomena | 2022 | J. L. Snider, T. M. Mattox, Y.-S. Liu, L. F. Wan, P. Wijeratne, M. D. Allendorf, V. Stavila, B. C. Wood, L. E. Klebanoff | International Journal of Hydrogen Energy |
| Thermal stability structural studies on the mixtures of Mg (BH4)2 glymes | 2022 | N. Leick, B. L. Tran, M. E. Bowden, T. Gennett, T. Autrey | Dalton Transactions |
| Understing Hydrogenation Chemistry at MgB2 Reactive Edges from Ab Initio Molecular Dynamics | 2022 | K. G. Ray, L. E. Klebanoff, V. Stavila, S. Y. Kang, L. F. Wan, S. Li, T. W. Heo, et al | ACS Appl. Mater. Interfaces |
| Al2O3 Atomic Layer Deposition on Nanostructured γ-Mg(BH4)2 for H2 Storage | 2021 | N. Leick, N. Strange, A. Schneemann, V. Stavila, K. Gross, N. Washton, A. Settle, M. Martinez, T. Gennett, S. Christensen | ACS Applied Energy Materials |
| Ambient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal–Organic Framework | 2021 | D. E. Jaramillo, H. Z. H. Jiang, H. A. Evans, R. Chakraborty, H. Furukawa, C. M. Brown, M. Head-Gordon, J. R. Long | Journal of the American Chemical Society |
| Backbonding Contributions to Small Molecule Chemisorption in a Metal–Organic Framework with Open Copper(I) Centers | 2021 | G. M. Su, H. Wang, B. R. Barnett, J. R. Long, D. Prendergast, W. S. Drisdell | Chemical Science |
| Chemical Bonding Governs Complex Magnetism in MnPt5P | 2021 | X. Gui, R. A. Klein, C. M. Brown, W. Xie | Inorganic Chemistry |
| Chemomechanical Effect of Reduced Graphene Oxide Encapsulation on Hydrogen Storage Performance of Pd Nanoparticles | 2021 | D. Kim, J. Koh, S. Kang, T. W. Heo, B. C. Wood, E. S. Cho, S. M. Han | Journal of Materials Chemistry A |
| Defying Thermodynamics: Stabilization of Alane Within Covalent Triazine Frameworks for Reversible Hydrogen Storage | 2021 | V. Stavila, S. Li, C. Dun, M. A. T. Marple, H. E. Mason, J. L. Snider, J. E. Reynolds III, C. Spataru, X. Zhou, B. Dizdar, E. H. Majzoubm, H. Schlomberg, B. V. Lotsch, J. J. Urban, B. C. Wood, M. D. Allendorf | Angewte Chemie |
| Interplay Between the Reorientational Dynamics of the B3H8− Anion the Structure in KB3H8 | 2021 | M. S. Ersson, J. B. Grinderslev, X.-M. Chen, X. Chen, U. Häussermann, W. Zhou, T. R. Jensen, M. Karlsson, T. J. Udovic | Journal of Physical Chemistry C |
| Lithium-Ion Diffusivity in Complex Hydrides: Pulsed-Field-Gradient NMR Studies of LiLa(BH4)3Cl, Li3(NH2)2I Li-1-CB9H10 | 2021 | A. V. Skripov, G. Majer, O. A. Babanova, R. V. Skoryunov, A. V. Soloninin, M. B. Ley, T. R. Jensen, S. Orimo, T. J. Udovic | Solid State Ionics |
| Mg(BH4)2 Based Hybrid Metal-Organic Borohydride System Exhibiting Enhanced Chemical Stability in Melt | 2021 | R. Bell, N. Strange, N. Leick, V. Stavila, M. Bowden, T. Autrey, T. Gennett | ACS Applied Energy Materials |
| Na+ Diffusivity in Carbon-Substituted nido- closo-Hydroborate Salts: Pulsed-Field-Gradient NMR Studies of Na-7-CB10H13 Na2(CB9H10)(CB11H12) | 2021 | A. V. Skripov, G. Majer, O. A. Babanova, R. V. Skoryunov, A. V. Soloninin, M. Dimitrievska, T. J. Udovic | Journal of Alloys Compounds |
| Predicting Hydrogen Storage in MOFs via Machine Learning | 2021 | A. Alauddin, D. J. Siegel | Patterns |
| Reversing the Irreversible: Thermodynamic Stabilization of LiAlH4 Nanoconfined Within a Nitrogen-Doped Carbon Host | 2021 | Y. Cho, S. Li, J. L. Snider, M. A. T. Marple, N. A. Strange, J. D. Sugar, F. El Gabaly, A. Schneemann, S. Kang, M. Kang, H. Park, J. Park, L. F. Wan, H. E. Mason, M. D. Allendorf, B. C. Wood, E. S. Cho, V. Stavila | ACS Nano |
| Stabilized Open Metal Sites in Bimetallic Metal–Organic Framework Catalysts for Hydrogen Production from Alcohols | 2021 | J. L. Snider, J. Su, P. Verma, F. El Gabaly, J. D. Sugar, L. Chen, J. M. Chames, A. A. Talin, C. Dun, J. J. Urban, V. Stavila, D. Prendergast, G. A. Somorjai, M. D. Allendorf | Journal of Materials Chemistry A |
| Technoeconomic Analysis of Metal–Organic Frameworks for Bulk Hydrogen Transportation | 2021 | A. Anastasopoulou, H. Furukawa, B. R. Barnett, H. Z. H. Jiang, J. R. Long, H. M. Breunig | Energy Environmental Science |
| Thermal Conversion of Unsolvated Mg(B3H8)2 to BH4- in the Presence of MgH2 | 2021 | A. Gigante, N. Leick, A. Lipton, B. Tran, N. Strange, M. Bowden, M. Martinez, R. Moury, T. Gennett, H. Hagemann, T. Autrey | ACS Applied Energy Materials |
| A Mechanistic Analysis of Phase Evolution Hydrogen Storage Behavior in Nanocrystalline Mg(BH4)2 within Reduced Graphene Oxide | 2020 | S. Jeong, T. W. Heo, J. Oktawiec, R. Shi, S. Kang, J. L. White, A. Schneemann, E. W. Zaia, L. F. Wan, K. G. Ray, Y.-S. Liu, V. Stavila, J. Guo, J. R. Long, B. C. Wood, J. J. Urban | ACS Nano |
| Beyond Idealized Models of Nanoscale Metal Hydrides for Hydrogen Storage | 2020 | B. C. Wood, T. W. Heo, S. Kang, S. Li, L. F. Wan | Industrial & Engineering Chemistry Research |
| Calcium Chloride Substitution in Sodium Borohydride | 2020 | T. M. Mattox, G. Bolek, A. L. Pham, M. Kunz, Y. S. Liu, S. C. Fakra, M. P. Gordon, A. Doran, J. H. Guo, J. J. Urban | Journal of Solid State Chemistry |
| Catalytic Hydrogen Production from Methane: A Review on Recent Progress Prospect | 2020 | L. N. Chen, Z. Y. Qi, S. C. Zhang, J. Su, G. A. Somorjai | Catalysts |
| Challenges Opportunities for Using Formate to Store, Transport Utilize Hydrogen | 2020 | K. Grubel, H. Jeong, C. Yoon, T. Autrey | Journal of Energy Chemistry |
| Colloidal Three-Dimensional Covalent Organic Frameworks Their Application as Porous Liquids | 2020 | R. E. Mow, A. S. Lipton, S. Shulda, E. A. Gaulding, T. Gennett, W. A. Braunecker | Journal of Materials Chemistry A |
| Critical Nuclei at Hetero-Phase Interfaces | 2020 | R. Shi, T. W. Heo, B.C. Wood, Y. Wang | Acta Materialia |
| Crystallographic Characterisation of Reductive Cation Insertion into the Metal–Organic Framework Fe2(bdp)3 | 2020 | N. Biggins, M. E. Ziebel, M. I. Gonzalez, J. R. Long | Chemical Science |
| Density Functionals for Hydrogen Storage: Defining the H2Bind275 Test Set with ab initio Benchmarks Assessment of 55 Functionals | 2020 | S. R. Veccham M. Head-Gordon | Journal of Chemical Theory Computation |
| Design Principles for the Ultimate Gas Deliverable Capacity Material: Nonporous to Porous Deformations without Volume Change | 2020 | M. Witman, S. Ling, V. Stavila, P. Wijeratne, H. Furukawa, M. D. Allendorf | Molecular System Design & Engineering |
| Development of an Autothermal Formate-Based Hydrogen Generator: From Optimization of Formate Dehydrogenation Conditions to Thermal Integration with Fuel Cells | 2020 | Y. J. Hwang, Y. Kwon, Y. Kim, H. Sohn, S. W. Nam, J. Kim, T. Autrey, C. W. Yoon, Y. S. Jo, H. Jeong | ACS Sustainable Chemistry & Engineering |
| Enhanced Stabilized Hydrogen Production from Methanol by Ultrasmall Ni Nanoclusters Immobilized on Defect-Rich h-BN Nanosheets | 2020 | Z. Zhang, J. Su, A. Sanz Matias, M. Gordon, Y. S Liu, J. Guo, C. Song, C. Dun, D. Prendergast, G. A. Somorjai, J. J. Urban | Proceedings of the National Academy of Sciences |
| Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning | 2020 | M. Witman, S. L. Ling, D. M. Grant, G. S. Walker, S. Agarwal, V. Stavila, M. D. Allendorf | Journal of Physical Chemistry Letters |
| Heterolytic Scission of Hydrogen Within a Crystalline Frustrated Lewis Pair | 2020 | M. Bowden, B. Ginovska, M. Jones, A. Karkamkar, A. Rameriz Cuesta, L. Daemen, G. Schenter, S. Miller, T. Repo, K. Chernichenko, N. Leick, M. Martinez, T. Autrey | Inorganic Chemistry |
| Interplay of NH4+ BH4– Reorientational Dynamics in NH4BH4 | 2020 | M. S. ersson, J. B. Grinderslev, T. R. Jensen, V. García Sakai, U. Häussermann, T. J. Udovic, M. Karlsson | Physical Review Materials |
| Melting of Magnesium Borohydride under High Hydrogen Pressure: Thermodynamic Stability Effects of Nanoconfinement | 2020 | J. L. White, N. A. Strange, J. D. Sugar, J. L. Snider, A. Schneemann, A. S. Lipton, M. F. Toney, M. D. Allendorf, V. Stavila | Chemistry of Materials |
| Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal–Organic Framework | 2020 | A. Schneemann, L. F. Wan, A. S. Lipton, Y.-S. Liu, J. L. Snider, A. A. Baker, J. D. Sugar, C. D. Spataru, J. Guo, T. S. Autrey, M. Jørgensen, T. R. Jensen, B. C. Wood, M. D. Allendorf, V. Stavila | ACS Nano |
| Nanoscale Mg–B via Surfactant Ball Milling of MgB2: Morphology, Composition Improved Hydrogen Storage Properties | 2020 | Y. S. Liu, K. G. Ray, M. Jorgensen, T. M. Mattox, D. F. Cowgill, H. V. Eshelman, A. M. Sawvel, J. L. Snyder, W. York, P. Wijeratne, A. L. Pham, H. Gunda, S. Li, T. W. Heo, S. Kang, T. R. Jensen, V. Stavila, B. C. Wood, L. E. Klebanoff | Journal of Physical Chemistry C |
| Palladium-Catalyzed Oxidative Homocoupling of Pyrazole Boronic Esters to Access Versatile Bipyrazoles the Flexible Metal-Organic Framework Co(4,4’-bipyrazolate) | 2020 | M. K. Taylor, M. Juhl, G. B. Hadaf, D. Hwang, E. Velasquez, J. Oktawiec, J. B. Lefton, T. Runčevski, J.R. Long, J.-W. Lee | Chemical Communications |
| Phase-Field Model of Deformation Twin-Grain Boundary Interactions in Hexagonal Systems | 2020 | X. Hu, Y. Z. Ji, T. W. Heo, L.-Q. Chen, X. Y. Cui | Acta Materialia |
| Phonon Dispersion Relation of Bulk Boron-Doped Graphitic Carbon | 2020 | D. McGlamery, A. A. Baker, Y. S. Liu, M. A. Mosquera, N. P. Stadie | Journal of Physical Chemistry C |
| Physi-Sorption of H2 on Pure Boron–Doped Graphene Monolayers: A Dispersion–Corrected DFT Study | 2020 | I. H. Nayyar, B. Ginovska, A. Karkamkar, T. Gennett, T. Autrey | C Journal of Carbon Research |
| Research Requirements to Move the Bar Forward Using Aqueous Formate Salts as H2 Carriers for Energy Storage Applications | 2020 | K. Grubel, J. Su, J. Koth araman, K. Brooks, G. A. Somorjai, T. Autrey | Journal of Energy Power Technology |
| Selective Nitrogen Adsorption via Backbonding in a Metal–Organic Framework with Exposed Vanadium Sites | 2020 | D. E. Jaramillo, D. A. Reed, H. Z. H. Jiang, J. Oktawiec, M. W. Mara, A. C. Forse, D. J. Lussier, R. A. Murphy, M. Cunningham, V. Colombo, D. K. Shuh, J. A. Reimer, J. R. Long | Nature Materials |
| Self-Adjusting Binding Pockets Enhance H2 CH4 Adsorption in a Uranium-Based Metal–Organic Framework | 2020 | D. P. Halter, R. A. Klein, M. A. Boreen, B. A. Trump, C. M. Brown, J. R. Long | Chemical Science |
| Solvent Addition as a Solution for Enhancing Hydrogen Storage Properties of Magnesium-Borohydride | 2020 | M. Dimitrievska, M. Chong, M. E. Bowden, H. Wu, W. Zhou, I. Nayyar, B. Ginovska, T. Gennett, T. Autrey, C. M. Jensen, T. J. Udovic | Physical Chemistry Chemical Physics |
| Statistically Averaged Molecular Dynamics Simulations of Hydrogen Diffusion in Magnesium Magnesium Hydrides | 2020 | C. D. Spataru, T. W. Heo, B. C. Wood, V. Stavila, S. Kang, M. D. Allendorf, X. W. Zhou | Physical Review Materials |
| Structural Dynamical Properties of Potassium Dodecahydro-Monocarba-Closo-Dodecaborate: KCB11H12 | 2020 | M. Dimitrievska, H. Wu, V. Stavila, O. A. Babanova, R. V. Skoryunov, A. V. Soloninin, W. Zhou, B. A. Trump, M. S. ersson, A. V. Skripov, T. J. Udovic | Journal of Physical Chemistry C |
| The Inside-Outs of Metal Hydride Dehydrogenation: Imaging the Phase Evolution of the Li-N-H Hydrogen Storage System | 2020 | J. L. White, A. A. Baker, M. A. Marcus, J. L. Snider, T. C. Wang, J. R. I Lee, D. A. L. Kilcoyne, M. D. Allendorf, V. Stavila, F. El Gabaly | Advanced Materials Interfaces |
| Thermal Activation of a Copper-Loaded Covalent Organic Framework for Near-Ambient Temperature Hydrogen Storage Delivery | 2020 | W. A. Braunecker, S. Shulda, M. B. Martinez, K. E. Hurst, J. T. Koubek, S. Zaccarine, R. E. Mow, S. Pylypenko, A. Sellinger, T. Gennett, J. C. Johnson | ACS Materials Letters |
| Understanding Superionic Conductivity in Lithium Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions | 2020 | M. Jørgensen, P. T. Shea, A. W. Tomich, J. B. Varley, M. Bercx, S. Lovera, R. Černý, W. Zhou, T. J. Udovic, V. Lavallo, T. R. Jensen, B. C. Wood, V. Stavila | Chemistry or Materials |
| A Phase-Field Model for Hydride Formation in Polycrystalline Metals: Application to δ-Hydride in Zirconium Alloys | 2019 | T. W. Heo, K. B. Colas, A. T. Motta, L.-Q. Chen | Acta Materialia |
| An Analytical Bond Order Potential for Mg–H Systems | 2019 | X. W. Zhou, S. Kang, T. W. Heo, B. C. Wood, V. Stavila, M. D. Allendorf | ChemPhysChem |
| An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements | 2019 | K. E. Hurst, T. Gennett, J. Adams, M. D. Allendorf, R. Balderas-Xicohtencatl, M. Bielewski, B. Edwards, L. Espinal, B. Fultz, M. Hirscher, M. S. L. Hudson, Z. Hulvey, M. Latroche, D. J. Liu, M. Kapelewski, E. Napolitano, Z. T. Perry, J. Purewal, V. Stayila, M. Veenstra, J. L. White, Y. P. Yuan, H. C. Zhou, C. Zlotea, P. Parilla | ChemPhysChem |
| Challenges and Opportunities for Using Formate to Store, Transport, and Use Hydrogen | 2019 | K. Grubel, H. Jeong, C. W. Yoon, T. Autrey | Journal of Energy Chemistry |
| Design Rules for Metal-Organic Framework Stability in High-Pressure Hydrogen Environments | 2019 | T. C. Wang, J. L. White, B. L. Bie, H. X. Deng, J. Edgington, J. D. Sugar, V. Stavila, M. D. Allendorf | ChemPhysChem |
| Edge-Functionalized Graphene Nanoribbon Encapsulation to Enhance Stability and Control Kinetics of Hydrogen Storage Materials | 2019 | L. F. Wan, E. S. Cho, T. Marangoni, P. Shea, S. Y. Kang, C. Rogers, E. Zaia, R. R. Cloke, B. C. Wood, F. R. Fischer, J. J. Urban, D. Prendergast | Chemistry of Materials |
| Efficient Hydrogen Production from Methanol Using A Single-Site Pt1/CeO2 Catalyst | 2019 | L. Chen, K. Hou, Y.-S. Liu, Zh. Qi, Q. Zheng, Y. Lu, J. Chen, J. Chen, Ch. Pao, Sh. Wang, Y. Li, Sh. Xie, F. Liu, D. Prendergast, L. Klebanoff, V. Stavila, M. Allendorf, J.-H. Guo, L. Zheng, J. Su, A. G. Somorjai | Journal of the American Chemical Society |
| Hydrogen Energy | 2019 | M. Hirscher, T. Autrey, S. Orimo | ChemPhysChem |
| Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-doped NaAlH4 | 2019 | J. L. White, A. J. E. Rowberg, L. F. Wan, S. Y. Kang, T. Ogitsu, R. D. Kolasinski, J. A. Whaley, A. Baker, J. R. I. Lee, Y. S. Liu, L. Trotochaud, J.-H. Guo, V. Stavila, D. Prendergast, H. Bluhm, M. D. Allendorf, B. C. Wood, F. E. Gabaly | ACS Applied Materials and Interfaces |
| Immobilization of Highly Active Bimetallic PdAu Nanoparticles onto Nanocarbons for Dehydrogenation of Formic Acid | 2019 | N. Tsumori, Y. Himeda, T. Autrey, Q. Xu | Journal of Materials Chemistry A |
| Immobilization of Highly Active Bimetallic PdAu Nanoparticles to Nanocarbons for Dehydrogenation of Formic Acid | 2019 | W. Hong, M. Kitta, N. Tsumori, Y. Himeda, T. Autrey, Q. Xu | Journal of Materials Chemistry A |
| In-Situ/Operando X-Ray Characterization of Metal Hydrides | 2019 | Y. S. Liu, S. Jeong, J. L. White, X. F. Feng, E. S. Cho, V. Stavila, M. D. Allendorf, J. J. Urban, J. H. Guo | ChemPhysChem |
| Investigating Possible Kinetic Limitations to MgB2 Hydrogenation | 2019 | Y.-S. Liu, L. E. Klebanoff, P. Wijeratne, D. F. Cowgill, V. Stavila, T. W. Heo, S. Kang, A. A. Baker, J. R. I. Lee, K. G. Ray, J. D Sugar, B. C. Wood | International Journal of Hydrogen Energy |
| IRMOF-74(n)–Mg: A Novel Catalyst Series for Hydrogen Activation and Hydrogenolysis of C–O Bonds | 2019 | V. Stavila, M. E. Foster, J. W. Brown, R. W. Davis, J. Edgington, A. I. Benin, R. A. Zarkesh, R. Parthasarathi, D. W. Hoyt, E. D. Walter, A. ersen, N. M. Washton, A. S. Lipton, M. D. Allendorf | Chemical Science |
| Kinetic Enhancement of Direct Hydrogenation of MgB2 to Mg(BH4)2 upon Mechanical Milling with THF, MgH2, and/or Mg | 2019 | C. Sugai, S. Kim, G. Severa, J. L. White, N. Leick, M. B. Martinez, T. Gennett, V. Stavila, C. Jensen | ChemPhysChem |
| Morphology-Dependent Stability of Complex Metal Hydrides and Their Intermediates Using First-Principles Calculations | 2019 | S. Kang, T. W. Heo, M. D. Allendorf, B. C. Wood | ChemPhysChem |
| On Thermodynamic and Kinetic Mechanisms for Stabilizing Surface Solid Solutions | 2019 | T. W. Heo, B.C. Wood | ACS Applied Materials and Interfaces |
| Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes | 2019 | T. Stauch, R. Chakraborty, M. Head‐Gordon | ChemPhysChem |
| Reversible Hydrogen Uptake/Release over Sodium Phenoxide–Cyclohexanolae Pair | 2019 | Y. Yu, T. He, A. Wu, Q. Pei, A. J. Karkamkar, T. Autrey, P. Chen | Angewandte Chemie International Edition |
| Runaway Carbon Dioxide Conversion Leads to Enhanced Sorption in a Nanohybrid Porous Magnesium Metal Hydride | 2019 | S. Jeong, P. Milner, L. F. Wan, Y.-S. Liu, J. Oktawiec, E. W. Zaia, J.-H. Guo, D. Prendergast, J. R. Long, J. J. Urban | Advanced Materials |
| Solid-State Hydrogen Rich Boron–Nitrogen Compounds for Energy Storage | 2019 | R. Kumar, A. Karkamkar, M. Bowden, T. Autrey | Chemical Society Reviews |
| A Solvent-Switched in situ Confinement Approach for Immobilizing Highly-Active Ultrafine Palladium Nanoparticles: Boosting Catalytic Hydrogen Evolution | 2018 | Q. L. Zhu, F. Z. Song, Q. J. Wang, N. Tsumori, Y. Himeda, T. Autrey, Q. Xu | Journal of Materials Chemistry A |
| An Assessment of Strategies for the Development of Solid-State Adsorbents for Vehicular Hydrogen Storage | 2018 | M. D. Allendorf, Z. Hulvey, T. Gennett, A. Alauddin, S. Autrey, J. Camp, E. Cho, H. Furukawa, M. Haranczyk, M. Head-Gordon, S. Jeong, 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, B. C. Wood | Energy & Environmental Science |
| Anomalous H2 Desorption Rate of NaAlH4 Confined in Nitrogen-Doped Nanoporous Carbon Frameworks | 2018 | C. L. Carr, W. Jayawardana, H. Y. Zou, J. L. White, F. El Gabaly, M. S. Conradi, V. Stavila, M. D. Allendorf, E. H. Majzoub | Chemistry of Materials |
| Assessing the Reactivity of TiCl3 and TiF3 with Hydrogen | 2018 | S. Kang, L. E. Klebanoff, A. A. Baker, D. F. Cowgill, V. Stavila, J. R. I. Lee, M. H. Nielsen, K. G. Ray, Y.-S. Liu, B. C. Wood | International Journal of Hydrogen Energy |
| Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12 | 2018 | M. Dimitrievska, P. Shea, K. E. Kweon, M. Bercx, J. B. Varley, W. S. Tang, A. V. Skripov, V. Stavila, T. J. Udovic, B. C. Wood | Advanced Energy Materials |
| Critical Factors in Computational Characterization of Hydrogen Storage in Metal–Organic Frameworks | 2018 | J. Camp, V. Stavila, M. D. Allendorf, D. Prendergast, M. Haranczyk | Journal of Physical Chemistry C |
| Hydrogenation Properties of Lithium and Sodium Hydride – closo-borate, [B10H10]2- and [B12H12]2-, Composites | 2018 | S. R. H. Jensen, M. Paskevicius, B. R. S. Hansen, A. S. Jakobsen, K. T. Moller, J. L. White, M. D. Allendorf, V. Stavila, J. Skibsted, T. R. Jensen | Physical Chemistry Chemical Physics |
| Molecular Dynamics Studies of Fundamental Bulk Properties of Palladium Hydrides for Hydrogen Storage | 2018 | X. W. Zhou, T. W. Heo, B. C. Wood, V. Stavila, S. Kang, M. D. Allendorf | Journal of Applied Physics |
| Nanostructured Metal Hydrides for Hydrogen Storage | 2018 | A. Schneemann, J. L. White, S. Kang, S. Jeong, L. W. F. Wan, E. S. Cho, T. W. Heo, D. Prendergast, J. J. Urban, B. C. Wood, M. D. Allendorf, V. Stavila | Chemical Reviews |
| Nature of Decahydro-closo-decaborate Anion Reorientations in an Ordered Alkali-Metal Salt: Rb2B10H10 | 2018 | M. Dimitrievska, V. Stavila, A. V. Soloninin, R. V. Skoryunov, O. A. Babanova, H. Wu, W. Zhou, W. S. Tang, A. Faraone, J. D. Tarver, B. A. Trump, A. V. Skripov, T. J. Udovic | Journal of Physical Chemistry C |
| Nuclear Magnetic Resonance Study of Anion and Cation Reorientational Dynamics in (NH4)2B12H12 | 2018 | A. V. Skripov, R. V. Skoryunov, A. V. Soloninin, O. A. Babanova, V. Stavila, T. J. Udovic | Journal of Physical Chemistry C |
| Record High Hydrogen Storage Capacity in the Metal-Organic Framework Ni2(m-dobdc) at Near-Ambient Temperatures | 2018 | M. T. Kapelewski, T. Runcevski, J. D. Tarver, H. Z. H. Jiang, K. E. Hurst, P. A. Parilla, A. Ayala, T. Gennett, S. A. FitzGerald, C. M. Brown, J. R. Long | Chemistry of Materials |
| Releasing Hydrogen at High Pressures from Liquid Carriers: Aspects for the H2 Delivery to Fueling Stations | 2018 | K. Muller, K. Brooks, T. Autrey | Energy & Fuels |
| Temperature- and Concentration-Dependent Hydrogen Diffusivity in Palladium from Statistically-Averaged Molecular Dynamics Simulations | 2018 | X. W. Zhou, T. W. Heo, B. C. Wood, V. Stavila, S. Kang, M. D. Allendorf | Scripta Materialia |
| The Effect of Aluminum and Platinum Additives on Hydrogen Adsorption on Mesoporous Silicates | 2018 | G. Melaet, V. Stavila, L. Klebanoff, G. A. Somorjai | Physical Chemistry Chemical Physics |
| Tracking the Progression of Anion Reorientational Behavior between α-Phase and β-Phase Alkali-Metal Silanides, MSiH3, by Quasielastic Neutron Scattering | 2018 | M. Dimitrievska, J. N. Chotard, R. Janot, A. Faraone, W. S. Tang, A. V. Skripov, T. J. Udovic | Journal of Physical Chemistry C |
| Atomically Thin Interfacial Suboxide Key to Hydrogen Storage Performance Enhancements of Magnesium Nanoparticles Encapsulated in Reduced Graphene Oxide | 2017 | L. F. Wan, Y.-S. Liu, E. S. Cho, J. D. Forster, S. Jeong, H.-T. Wang, J. J. Urban, J. Guo, D. Prendergast | Nano Letters |
| Comparison of Anion Reorientational Dynamics in MCB9H10 M2B10H10 (M = Li, Na) Via Nuclear Magnetic Resonance Quasielastic Neutron Scattering Studies | 2017 | A. V. Soloninin, M. Dimitrievska, R. V. Skoryunov, O. A. Babanova, A. V. Skripov, W. S. Tang, V. Stavila, S. Orimo, T. J. Udovic | Journal of Physical Chemistry C |
| Elucidating the Mechanism of MgB2 Initial Hydrogenation Via a Combined Experimental-Theoretical Study | 2017 | K. G. Ray, L. E. Klebanoff, J. R. I. Lee, V. Stavila, T. W. Heo, P. Shea, A. A. Baker, S. Kang, M. Bagge-Hansen, Y.-S. Liu, J. L. White, B. C. Wood | Physical Chemistry Chemical Physics |
| Finite-Temperature Behavior of PdHx Elastic Constants Computed by Direct Molecular Dynamics | 2017 | X. W. Zhou, T. W. Heo, B. C. Wood, V. Stavila, S. Kang, M. D. Allendorf | MRS Advances |
| Hierarchically Controlled inside-out Doping of Mg Nanocomposites for Moderate Temperature Hydrogen Storage | 2017 | E. S. Cho, A. M. Ruminski, Y. S. Liu, P. T. Shea, S. Y. Kang, E. W. Zaia, J. Y. Park, Y.-D. Chuang, J. M. Yuk, X. Zhou, T. W. Heo, J. Guo, B. C. Wood, J. J. Urban | Advanced Functional Materials |
| High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical Insights from Metalated Catechols | 2017 | E. Tsivion, S. P. Veccham, M. Head-Gordon | ChemPhysChem |
| Hydrogen Storage in Formic Acid: A Comparison of Process Options | 2017 | K. Muller, K. Brooks, T. Autrey | Energy & Fuels |
| Methane Storage: Molecular Mechanisms Underlying Room Temperature Adsorption in Zn4O(BDC)3 (MOF-5) | 2017 | E. Tsivion M. Head-Gordon | Journal of Physical Chemistry C |
| Nanointerface-Driven Reversible Hydrogen Storage in the Nanoconfined Li–N–H System | 2017 | B. C. Wood, V. Stavila, N. Poonyayant, T. W. Heo, K. G. Ray, L. E. Klebanoff, T. J. Udovic, J. R. I. Lee, N. Angboonpong, J. D. Sugar, P. Pakawatpanurut | Advanced Materials Interfaces |
| Order–Disorder Transitions Superionic Conductivity in the Sodium nido-Undeca(carba)borates | 2017 | W. S. Tang, M. Dimitrievska, V. Stavila, W. Zhou, H. Wu, A. A. Talin, T. J. Udovic | Chemistry of Materials |
| Tailoring Polymer Conformation for Nanocrystal Growth: The Role of Chain Length Solvent | 2017 | E. S. Cho, F. Qiu, J. J. Urban | Small |
| Tandem Nitrogen Functionalization of Porous Carbon: Toward Immobilizing Highly Active Palladium Nanoclusters for Dehydrogenation of Formic Acid | 2017 | Z. P. Li, X. C. Yang, N. Tsumori, Z. Liu, Y. Himeda, T. Autrey, Q. Xu | ACS Catalysis |
| Techno-Economic Analysis of Metal-Organic Frameworks for Hydrogen Natural Gas Storage | 2017 | D. DeSantis, J. A. Mason, B. D. James, C. Houchins, J. R. Long, M. Veenstra | Energy & Fuels |
| Understanding Charge Transfer at Mg/MgH2 Interfaces for Hydrogen Storage | 2017 | S. Kang, T. Ogitsu, S. A. Bonev, T. W. Heo, M. D. Allendorf, B. C. Wood | ECS Transactions |
| A New Family of Metal Borohydride Guanidinate Complexes: Synthesis, Structures Hydrogen-Storage Properties | 2016 | H. Wu, X. Q. Zhou, E. E. Rodriguez, W. Zhou, T. J. Udovic, T. Yildirim, J. J. Rush | Journal of Solid State Chemistry |
| Adsorption of Two Gas Molecules at a Single Metal Site in a Metal-Organic Framework | 2016 | T. Runcevski, M. T. Kapelewski, R. M. Torres-Gavosto, J. D. Tarver, C. M. Brown, J. R. Long | Chemical Communications |
| An International Multi-Laboratory Investigation of Carbon-Based Hydrogen Sorbent Materials | 2016 | K. E. Hurst, P. A. Parilla, K. J. O'Neill, T. Gennett | Applied Physics a-Materials Science & Processing |
| Blending Materials Composed of Boron, Nitrogen Carbon to Transform Approaches to Liquid Hydrogen Stores | 2016 | S. M. Whittemore, M. Bowden, A. Karkamkar, K. Parab, D. Neiner, T. Autrey, J. S. A. Ishibashi, G. Chen, S.-Y. Liu, D. A. Dixon | Dalton Transactions |
| Complex Liquid Hydrides for Energy Storage | 2016 | E. Callini, Z. O. K. Atakli, B. C. Hauback, S. Orimo, C. Jensen, M. Dornheim, D. Grant, Y. W. Cho, P. Chen, B. Hjorvarsson, P. de Jongh, C. Weidenthaler, M. Baricco, M. Paskevicius, T. R. Jensen, M. E. Bowden, T. S. Autrey, A. Zuttel | Applied Physics A-Materials Science & Processing |
| Coupling of Exothermic Endothermic Hydrogen Storage Materials | 2016 | K. P. Brooks, M. E. Bowden, A. J. Karkamkar, A. Y. Houghton, T. S. Autrey | Journal of Power Sources |
| Graphene Oxide/Metal Nanocrystal Multilaminates as the Atomic Limit for Safe Selective Hydrogen Storage | 2016 | E. S. Cho, A. M. Ruminski, S. Aloni, Y. S. Liu, J. H. Guo, J. J. Urban | Nature Communications |
| Hydrogen Storage in the Exp ed Pore Metal-Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn) | 2016 | D. Gygi, E. D. Bloch, J. A. Mason, M. R. Hudson, M. I. Gonzalez, R. L. Siegelman, T. A. Darwish, W. L. Queen, C. M. Brown, J. R. Long | Chemistry of Materials |
| Molecular Dynamics Simulations of Hydrogen Diffusion in Aluminum | 2016 | X. W. Zhou, F. El Gabaly, V. Stavila, M. D. Allendorf | Journal of Physical Chemistry C |
| Olsalazine-Based Metal-Organic Frameworks as Biocompatible Platforms for H2 Adsorption Drug Delivery | 2016 | D. J. Levine, T. Runcevski, M. T. Kapelewski, B. K. Keitz, J. Oktawiec, D. A. Reed, J. A. Mason, H. Z. H. Jiang, K. A. Colwell, C. M. Legendre, S. A. FitzGerald, J. R. Long | Journal of the American Chemical Society |
| Outlook Challenges for Hydrogen Storage in Nanoporous Materials | 2016 | D. P. Broom, C. J. Webb, K. E. Hurst, P. A. Parilla, T. Gennett, C. M. Brown, R. Zacharia, E. Tylianakis, E. Klontzas, G. E. Froudakis, Th. A. Steriotis, P. N. Trikalitis, D. L. Anton, B. Hardy, D. Tamburello, C. Corgnale, B. A. van Hassel, D. Cossement, R. Chahine, M. Hirscher | Applied Physics A-Materials Science & Processing |
| Recommended Volumetric Capacity Definitions Protocols for Accurate, St ardized Unambiguous Metrics for Hydrogen Storage Materials | 2016 | P. A. Parilla, K. Gross, K. Hurst, T. Gennett | Applied Physics a-Materials Science & Processing |
| Spectroscopic Investigation of Nitrogen-Functionalized Carbon Materials | 2016 | K. N. Wood, S. T. Christensen, D. Nordlund, A. A. Dameron, C. Ngo, H. Dinh, T. Gennett, R. O'Hayre, S. Pylypenko | Surface Interface Analysis |
| Stabilizing Superionic-Conducting Structures Via Mixed-Anion Solid Solutions of Monocarba-closo-borate Salts | 2016 | W. S. Tang, K. Yoshida, A. V. Soloninin, R. V. Skoryunov, O. A. Babanova, A. V. Skripov, M. Dimitrievska, V. Stavila, S. Orimo, T. J. Udovic | ACS Energy Letters |
| Structural Dynamical Trends in Alkali-Metal Silanides Characterized by Neutron-Scattering Methods | 2016 | W. S. Tang, M. Dimitrievska, J. N. Chotard, W. Zhou, R. Janot, A. V. Skripov, T. J. Udovic | Journal of Physical Chemistry C |
| The Low-Temperature Structural Behavior of Sodium 1-carba-closo-decaborate: NaCB9H10 | 2016 | H. Wu, W. S. Tang, W. Zhou, J. D. Tarver, V. Stavila, C. M. Brown, T. J. Udovic | Journal of Solid State Chemistry |
