Publications

Agafonov, A., Pineda-Romero, N., Witman, M.D., Nassif, V., Vaughan, G.B.M., Lei, L., Ling, S., Grant, D.M., Dornheim, M., Allendorf, M., Stavila, V., Zlotea, C., & Zlotea, C. (2024). Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: From predictions to experimental validation. Acta Materialia, 276. 10.1016/j.actamat.2024.120086

Witman, M.D., Guan, P., Way, L., Bartelt, N.C., Ling, S., Grant, D., Zlotea, C., Sahlberg, M., Allendorf, M., Stavila, V., & Stavila, V. (2024). Applications of machine learning in the modeling and discovery of metal-(super)hydrides [Conference Presentation]. 10.2172/2566715

Torquato, N.A., Allendorf, M., Stavila, V., Rios, R.N., Hui, C.S., & Hui, C.S. (2024). Heterogenization of Homogeneous Ru and Mn Catalysts for Dehydrogenation of Polyalcohols [Conference Poster]. 10.2172/2566708

Allendorf, M., Klebanoff, L.E., Stavila, V., el Gabaly, F., Witman, M.D., Horton, R.D., Guan, P., Hui, C.S., Taylor, W.V., Torquato, N.A., Garcia, G.F.H., Foster, M.E., Way, L.E., & Way, L.E. (2024). HyMARC—SNL Activities [Conference Poster]. 10.2172/2540250

Noell, P., de Zapiain, D.M., Venkatraman, A., Wilson, M.A., Melia, M.A., Katona, R.M., Khan, R.M., Delrio, F.W., Kacher, J., Merrill, L.C., Stavila, V., Allendorf, M., Brown, N.K., & Brown, N.K. (2024). A&L Presentation [Conference Poster]. 10.2172/2563961

Witman, M.D., Bartelt, N.C., Ling, S., Guan, P., Way, L., Allendorf, M., Stavila, V., & Stavila, V. (2024). Phase Diagrams of Alloys and Their Hydrides via On-Lattice Graph Neural Networks and Limited Training Data. Journal of Physical Chemistry Letters, 15(5), pp. 1500-1506. 10.1021/acs.jpclett.3c03369

Allendorf, M. (2023). Hydrogen Materials Advanced Research Consortium (HyMARC): Sandia Technical Effort (FY23 Q4 Report). 10.2172/2430134

Allendorf, M., Klebanoff, L.E., Stavila, V., Witman, M.D., & Witman, M.D. (2023). Assessment of Materials-Based Options for On-Board Hydrogen Storage for Rail Applications. 10.2172/2430141

Abou Taka, A., Foulk, J.W., Cole-Filipiak, N.C., Shivanna, M., Yu, C.J., Feng, P.L., Allendorf, M., Ramasesha, K., Stavila, V., McCaslin, L.M., & McCaslin, L.M. (2023). Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical Chemistry Chemical Physics, 25(40), pp. 27065-27074. 10.1039/d3cp03720g

Witman, M.D., Goyal, A., Lany, S., Guan, P., McDaniel, A.H., Brooks, K., Zlotea, C., Stavila, V., Allendorf, M., & Allendorf, M. (2023). From data-driven modeling to systems level co-design: progress in materials discovery and optimization for hydrogen storage and generation [Conference Presentation]. 10.2172/2430404

Witman, M.D., Ling, S., Wadge, M., Bouzidi, A., Pineda-Romero, N., Clulow, R., Ek, G., Chames, J.M., Allendorf, E.J., Agarwal, S., Allendorf, M., Walker, G.S., Grant, D.M., Sahlberg, M., Zlotea, C., Stavila, V., & Stavila, V. (2023). Towards Pareto optimal high entropy hydrides via data-driven materials discovery. Journal of Materials Chemistry A, 11(29), pp. 15878-15888. 10.1039/d3ta02323k

Allendorf, M., Horton, R.D., Stavila, V., Witman, M.D., & Witman, M.D. (2023). Assessment of tank designs for hydrogen storage on heavy duty vehicles using metal hydrides. 10.2172/2430779

Allendorf, M., Garcia, G.F.H., Guan, P., el Gabaly, F., Horton, R.D., Klebanoff, L.E., Stavila, V., Taylor, W.V., Torquato, N.A., Way, L., Foster, M., & Foster, M. (2023). HyMARC Sandia Activities [Conference Poster]. 10.2172/2431403

Witman, M.D., Allendorf, M., Stavila, V., McDaniel, A.H., & McDaniel, A.H. (2023). Data driven methods enable rational design of high entropy materials for hydrogen storage (and generation) [Conference Presentation]. 10.2172/2431107

Allendorf, M., Stavila, V., & Stavila, V. (2023). Data-driven discovery and optimization of high entropy alloys and their hydrides [Conference Presentation]. 10.2172/2431826

Stavila, V., Reynolds, J.E., Acosta, A.C., Kang, S., Li, S., Lipton, A.S., Schneemann, A., Leick, N., Bhandarkar, A., Reed, C., Horton, R.D., Gennett, T., Wood, B.C., Allendorf, M., & Allendorf, M. (2022). Teaching an Old Reagent New Tricks: Synthesis, Unusual Reactivity, and Solution Dynamics of Borohydride Grignard Compounds. Organometallics, 41(20), pp. 2823-2832. 10.1021/acs.organomet.2c00284

Robinson, D.A., Foster, M.E., Bennett, C., Bhandarkar, A., Webster, E.R., Celebi, A., Celebi, N., Fuller, E.J., Stavila, V., Spataru, C.D., Ashby, D.S., Marinella, M., Krishnakumar, R., Allendorf, M., Talin, A.A., & Talin, A.A. (2022). Electrochemically Tunable Mixed Valence Conduction in Ruthenium Hexacyanoruthenate [Conference Presentation]. 10.2172/2005490

Zhang, L., Allendorf, M., Balderas-Xicohtencatl, R., Broom, D.P., Fanourgakis, G.S., Froudakis, G.E., Gennett, T., Hurst, K.E., Ling, S., Milanese, C., Parilla, P.A., Pontiroli, D., Ricco, M., Shulda, S., Stavila, V., Steriotis, T.A., Webb, C.J., Witman, M.D., Hirscher, M., & Hirscher, M. (2022). Fundamentals of hydrogen storage in nanoporous materials. Progress in Energy, 4(4). https://doi.org/10.1088/2516-1083/ac8d44

Robinson, D.A., Foster, M.E., Bennett, C., Bhandarkar, A., Fuller, E.J., Stavila, V., Spataru, C.D., Krishnakumar, R., Cole-Filipiak, N.C., Schrader, P., Ramasesha, K., Allendorf, M., Talin, A.A., & Talin, A.A. (2022). Proton Tunable Analog Transistor for Low Power Computing. 10.2172/1889340

McCaslin, L.M., Abou Taka, A., Reynolds, J., Cole-Filipiak, N.C., Shivanna, M., Feng, P.L., Tross, J., Allendorf, M., Ramasesha, K., Stavila, V., & Stavila, V. (2022). A Bottom-Up Approach to Rational Design of Crystalline Materials: Investigation of Vibrational and Electronic Coupling in the Photodynamics of Model Organic Co-Crystals [Conference Poster]. 10.2172/2006360

McCaslin, L.M., Abou Taka, A., Reynolds, J., Cole-Filipiak, N.C., Feng, P.L., Shivanna, M., Tross, J., Ramasesha, K., Stavila, V., Allendorf, M., & Allendorf, M. (2022). Investigating the Electronic Structure and Photophysical Properties of a Novel Donor-Acceptor Cocrystal [Conference Presentation]. 10.2172/2004485

Allendorf, M., Madden, D.G., Nolan, N., Rampal, N., Babu, R., Ceren, C., al Shakhs, A., Zhang, S., Rance, G., Perez, J., Casati, N., Cuadrado-Collados, C., O'Sullivan, D., Rice, N., Gennett, T., Parilla, P., Shulda, S., Hurst, K., Stavila, V., … Fairen-Jimenez, D. (2022). Densified HKUST-1 Monoliths as a Route to High Volumetric and Gravimetric Hydrogen Storage Capacity. Journal of the American Chemical Society, 144(30), pp. 13729-13739. https://doi.org/10.1021/jacs.2c04608

Pasquini, L., Sakaki, K., Akiba, E., Allendorf, M., Alvares, E., Ares, J.R., Babai, D., Baricco, M., Bellosta von Colbe, J., Bereznitsky, M., Buckley, C.E., Cho, Y.W., Cuevas, F., de Rango, P., Dematteis, E.M., Denys, R.V., Dornheim, M., Fernandez, J.F., Hariyadi, A., … Yartys, V.A. (2022). Magnesium- and intermetallic alloys-based hydrides for energy storage: Modelling, synthesis and properties. Progress in Energy, 4(3). 10.1088/2516-1083/ac7190

Allendorf, M., Stavila, V., Lotsch, B., Cho, Y., Wood, B., Schneeman, A., & Schneeman, A. (2021). Using Nanoconfinement to Alter Thermodynamics and Kinetics of Metastable Metal Hydrides [Conference Presentation]. 10.2172/2001673

Allendorf, M., Yoon, S., Stavila, V., Mroz, A.M., Bennett, T.D., He, Y., Keen, D.A., Hendon, C.H., So, M.C., Talin, A.A., & Talin, A.A. (2021). From n- To p-Type Material: Effect of Metal Ion on Charge Transport in Metal-Organic Materials. ACS Applied Materials and Interfaces, 13(44), pp. 52055-52062. 10.1021/acsami.1c09130

Allendorf, M., Stavila, V., Duncan, C., Snider, J.L., Reynolds, J.E., el Gabaly, F., Sugar, J.D., Dizdar, C.B., Majzoub, E.H., Schlomberg, H., Lotsch, B.V., Urban, J.J., Wood, B.C., & Wood, B.C. (2021). Reversible Hydrogen Storage by Metastable Hydrides in Functionalized Porous Hosts [Conference Presentation]. 10.2172/1899682

Johnson, T.A., Hertz, K., Allendorf, M., Stavila, V., & Stavila, V. (2021). SNL Hydrogen Program Overview [Presentation]. https://www.osti.gov/biblio/1891444

Allendorf, M. (2021). Effects of Film Properties, Guests and Defects on MOF Electronic Properties [Conference Presentation]. 10.2172/1886168

Williams, E.R., McMahon, P.L., Foulk, J.W., Snider, J.L., Stavila, V., Allendorf, M., Stefik, M., & Stefik, M. (2021). Tailored porous carbons enabled by persistent micelles with glassy cores. Materials Advances, 2(16), pp. 5381-5395. https://doi.org/10.1039/d1ma00146a

Yu, C.J., Foulk, J.W., Foster, M.E., Snider, J., Stavila, V., Allendorf, M., & Allendorf, M. (2021). Ru based homogeneous and heterogeneous catalysts for ethylene glycol (de)hydrogenation [Presentation]. https://www.osti.gov/biblio/1889363

Bennett, C., Robinson, D.A., Xiao, T.P., Melianas, A., Hughart, D.R., Agarwal, S., Fuller, E.J., Li, Y., Salleo, A., Allendorf, M., Talin, A.A., Marinella, M., & Marinella, M. (2021). Effects of Total Ionizing Dose on PEDOT/PSS Organic Memory Devices (Poster) [Conference Poster]. 10.2172/1888965

Allendorf, M., Stavila, V., Li, S., Snider, J., Foulk, J.W., el Gabaly, F., Sugar, J.D., Dizdar, B., Majzoub, E., Schlomberg, H., Lotsch, B., Urban, J., Wood, B., & Wood, B. (2021). Reversible Hydrogen Storage by Metastable Hydrides in Functionalized Porous Hosts [Conference Presentation]. 10.2172/1874675

Allendorf, M., Snider, J.L., Su, J., Verma, P., el Gabaly, F., Sugar, J.D., Chen, L., Chames, J.M., Talin, A.A., Dun, C., Urban, J.J., Stavila, V., Prendergast, D., Somorjai, G.A., & Somorjai, G.A. (2021). Stabilized open metal sites in bimetallic metal-organic framework catalysts for hydrogen production from alcohols. Journal of Materials Chemistry A, 9(17), pp. 10869-10881. 10.1039/d1ta00222h

Allendorf, M. (2021). Metal Hydrides for Transportation Applications [Presentation]. https://www.osti.gov/biblio/1884105

Allendorf, M. (2021). HyMARC: A Consortium for Advancing Hydrogen Storage Materials [Presentation]. https://www.osti.gov/biblio/1866327

Allendorf, M. (2021). Nanopores and Nanoparticles for Hydrogen Transport and Storage [Presentation]. https://www.osti.gov/biblio/1854323

Witman, M.D., Ling, S., Stavila, V., Wijeratne, P., Furukawa, H., Allendorf, M., & Allendorf, M. (2020). Design principles for the ultimate gas deliverable capacity material: Nonporous to porous deformations without volume change. Molecular Systems Design and Engineering, 5(9), pp. 1491-1503. 10.1039/d0me00122h

Snider, J., Su, J., Verma, P., el Gabaly, F., Sugar, J.D., Chen, L., Chames, J.M., Stavila, V., Prendergast, D., Somorjai, G., Allendorf, M., & Allendorf, M. (2020). Stabilized Open Metal Sites in Bimetallic Metal-Organic Framework Catalysts for Hydrogen Production from Alcohols [Conference Presentation]. 10.2172/1829962

Witman, M.D., Ek, G., Ling, S., Agarwal, S., Wong, J.C., Allendorf, M., Sahlberg, M., Stavila, V., & Stavila, V. (2020). Data-driven discovery of high entropy alloy hydrides with targeted thermodynamic stability [Presentation]. 10.1021/acs.chemmater.1c00647

Witman, M.D., Ling, S., Walker, G., Grant, D., Agarwal, S., Wong, J.C., Ek, G., Sahlberg, M., Stavila, V., Allendorf, M., & Allendorf, M. (2020). Discovering New Hydrogen Storage Materials Using an Empirical Design Principle for Metal Hydrides [Conference Presentation]. 10.2172/1833143

Snider, J., Baker, A., el Gabaly, F., Stavila, V., Allendorf, M., & Allendorf, M. (2020). Challenges and Opportunities for Soft X-ray Characterization of Hydrogen Storage Materials [Conference Presentation]. 10.2172/1831031

Allendorf, M. (2020). The Chemical Goldilocks Challenge for Transport and Storage of Hydrogen [Presentation]. https://www.osti.gov/biblio/1826434

Allendorf, M., Fuller, E.J., Robinson, D.A., Stavila, V., Talin, A.A., Spataru, C.D., Maranella, M., Bennett, C., Christopher, A.B., & Christopher, A.B. (2020). Proton-Tunable Analog Transistor Using a Coordination Polymer [Conference Poster]. https://www.osti.gov/biblio/1821080

Schneemann, A., Wan, L.F., Lipton, A.S., Liu, Y.S., Snider, J., Baker, A.A., Sugar, J.D., Spataru, C.D., Guo, J., Autrey, T.S., Jorgensen, M., Jensen, T.R., Wood, B.C., Allendorf, M., Stavila, V., & Stavila, V. (2020). Nanoconfinement of Molecular Magnesium Borohydride Captured in a Bipyridine-Functionalized Metal-Organic Framework. ACS Nano, 14(8), pp. 10294-10304. 10.1021/acsnano.0c03764

Snider, J., Su, J., Verma, P., el Gabaly, F., Sugar, J.D., Chen, L., Chames, J.M., Stavila, V., Prendergast, D., Somorjai, G., Allendorf, M., & Allendorf, M. (2020). Stabilized Open Metal Sites in Bimetallic Metal-Organic Framework Catalysts for Hydrogen Production from Alcohols [Conference Poster]. https://www.osti.gov/biblio/1812457

White, J.L., Strange, N.A., Sugar, J.D., Snider, J., Schneemann, A., Lipton, A.S., Toney, M.F., Allendorf, M., Stavila, V., & Stavila, V. (2020). Melting of Magnesium Borohydride under High Hydrogen Pressure: Thermodynamic Stability and Effects of Nanoconfinement. Chemistry of Materials, 32(13), pp. 5604-5615. 10.1021/acs.chemmater.0c01050

White, J.L., Baker, A.A., Marcus, M.A., Snider, J.L., Wang, T.C., Lee, J.R.I., Allendorf, M., Stavila, V., el Gabaly, F., & el Gabaly, F. (2020). Imaging the Phase Evolution of the Li-N-H Hydrogen Storage System. Advanced Materials Interfaces, 7(7). 10.1002/admi.201901905

White, J.L., Baker, A.A., Marcus, M.A., Snider, J., Wang, T.C., Lee, J.R.I., Kilcoyne, D.A.L., Allendorf, M., Stavila, V., el Gabaly, F., & el Gabaly, F. (2020). The Inside-Outs of Metal Hydride Dehydrogenation: Imaging the Phase Evolution of the Li-N-H Hydrogen Storage System. Advanced Materials Interfaces, 7(7). 10.1002/admi.201901905

Zhou, X., Spataru, C.D., Stavila, V., Allendorf, M., Kang, S., Heo, T.W., Wood, B., & Wood, B. (2020). Atomistic Simulations of Hydrogen Storage Materials [Conference Poster]. https://www.osti.gov/biblio/1772722

Witman, M.D., Ling, S., Schneemann, A., Wijeratne, P., Horton, R.D., Wong, J.C., Stavila, V., Allendorf, M., & Allendorf, M. (2020). Identification of nominally nonporous H2physisorbents via graph theory-based descriptors of MOF flexibility [Conference Poster]. https://www.osti.gov/biblio/1769583

Allendorf, M., Fuller, E.J., Robninson, D., Spataru, C.D., Stavila, V., Talin, A.A., & Talin, A.A. (2020). Proton-Tunable Analog Transistor Using a Coordination Polymer [Conference Poster]. https://www.osti.gov/biblio/1766730

Witman, M.D., Ling, S., Grant, D., Walker, G., Agarwal, S., Stavila, V., Allendorf, M., & Allendorf, M. (2020). Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning [Conference Poster]. https://www.osti.gov/biblio/1766691

Zhou, X., Bartelt, N.C., Sills, R., Spataru, C.D., Allendorf, M., Shinyoung, K., Wook, H.T., Brandon, W., & Brandon, W. (2020). Recent Interatomic Potential Development Activities at Sandia [Conference Poster]. https://www.osti.gov/biblio/1766685

Witman, M.D., Ling, S., Grant, D.M., Walker, G.S., Agarwal, S., Stavila, V., Allendorf, M., & Allendorf, M. (2020). Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning. Journal of Physical Chemistry Letters, 11(1), pp. 40-47. 10.1021/acs.jpclett.9b02971

Witman, M.D., Ling, S., Grant, D., Walker, G., Agarwal, S., Stavila, V., Allendorf, M., & Allendorf, M. (2019). Extracting an Empirical Intermetallic Hydride Design Principle from Limited Data via Interpretable Machine Learning [Conference Poster]. 10.1021/acs.jpclett.9b02971

Allendorf, M. (2019). Nanopores Nanoparticles and ?Molecular Hydrides? for Hydrogen Production Transport and Storage Production Transport and Storage of Fuels [Presentation]. https://www.osti.gov/biblio/1646260

Allendorf, M. (2019). Designing Metal-Organic Frameworks for Electronic Applications Using Guest Molecules and Structural Diversity [Presentation]. https://www.osti.gov/biblio/1646259

Allendorf, M. (2019). Hydrogen Materials - Advanced Research Consortium (HyMARC) Core National Laboratory Team. 10.2172/1567983

Allendorf, M., Schneeman, A., Stavila, V., Snider, J., Wang, T., & Wang, T. (2019). Soup to Nuts: MOFs for Production Transport and Storage of Fuels [Conference Poster]. https://www.osti.gov/biblio/1642962

Zhou, X., Spataru, C.D., Heo, T.W., Wood, B., Stavila, V., Kang, S., Allendorf, M., & Allendorf, M. (2019). Atomistic Modeling of Solid State Hydrogen Storage Materials [Conference Poster]. https://www.osti.gov/biblio/1642763

Zimmerman, J.A., Allendorf, M., & Allendorf, M. (2019). Hydrogen and Fuel Cells (H2FC) Program: Enabling Hydrogen Technologies with Science and Engineering [Presentation]. https://www.osti.gov/biblio/1673439

Allendorf, M., Stavila, V., Schneeman, A., Wang, T., & Wang, T. (2019). Soup to Nuts: MOFs for Production Transport and Storage of Fuels [Conference Poster]. https://www.osti.gov/biblio/1643636

Hurst, K.E., Gennett, T., Adams, J., Allendorf, M., Balderas-Xicohtencatl, R., Bielewski, M., Edwards, B., Espinal, L., Fultz, B., Hirscher, M., Hudson, M.S.L., Hulvey, Z., Latroche, M., di Liu, J., Kapelewski, M., Napolitano, E., Perry, Z.T., Purewal, J., Stavila, V., … Parilla, P. (2019). An International Laboratory Comparison Study of Volumetric and Gravimetric Hydrogen Adsorption Measurements. ChemPhysChem, 20(15), pp. 1997-2009. 10.1002/cphc.201900166

Angel, S.M., So, M.C., Allendorf, M., & Allendorf, M. (2019). Doping oF Metal-Organic Frameworks Towards Electronics [Presentation]. https://www.osti.gov/biblio/1807148

Allendorf, M. (2019). Defects in Metal-Organic Frameworks: blessing or curse? [Presentation]. https://www.osti.gov/biblio/1645633

Allendorf, M., Doty, F.P., Benin, A.I., Stavila, V., Wang, T.C., Greathouse, J.A., Nilsson, M., & Nilsson, M. (2019). Exploiting the Tailorable Nanoporosity of Metal-Organic Frameworks for In-Situ Identification of Radioisotopes [Conference Poster]. https://www.osti.gov/biblio/1640848

Zhou, X., Stavila, V., Allendorf, M., Heo, T.W., Wood, B.C., Kang, S., & Kang, S. (2019). An Analytical Bond Order Potential for Mg−H Systems. ChemPhysChem, 20(10), pp. 1404-1411. 10.1002/cphc.201800991

Allendorf, M., Kang, S.Y., Heo, T.W., Wood, B.C., & Wood, B.C. (2019). Morphology-Dependent Stability of Complex Metal Hydrides and Their Intermediates Using First-Principles Calculations. ChemPhysChem, 20(10), pp. 1340-1347. 10.1002/cphc.201801132

Allendorf, M., Schneeman, A., Stavila, V., Wang, T.C., & Wang, T.C. (2019). Soup to Nuts: MOFs for Production Transport and Storage of Fuels [Conference Poster]. https://www.osti.gov/biblio/1639765

White, J.L., Stavila, V., Allendorf, M., & Allendorf, M. (2019). Melt-Infiltration of Magnesium Borohydride in Nanoporous Carbons for High-Density Hydrogen Storage [Presentation]. https://www.osti.gov/biblio/1644824

Wang, T.C., Allendorf, M., Stavila, V., & Stavila, V. (2019). Metal-Organic Frameworks for Catalytic Biomass Upgrading : Investigation of C?C Bond Formation by Aldol Condensation in a Pre-Defined Pore Space [Conference Poster]. https://www.osti.gov/biblio/1639641

Wang, T.C., Allendorf, M., Stavila, V., Benin, A.I., Doty, F.P., & Doty, F.P. (2019). Increasing the optical transmittance via decreasing crystallite dimensions?insights on MOF luminescence sensing applications [Conference Poster]. https://www.osti.gov/biblio/1639640

Allendorf, M. (2019). HyMARC: Addressing Key Challenges to Hydrogen Storage in Advanced Materials Through a Multi-Lab Collaboration [Presentation]. https://www.osti.gov/biblio/1644586

Allendorf, M. (2019). Solid State Materials for Hydrogen Storage [Presentation]. https://www.osti.gov/biblio/1644585

Liu, Y., Jeong, S., White, J.L., Feng, X., Cho, E.S., Stavila, V., Allendorf, M., Urban, J., Guo, J., & Guo, J. (2019). In-situ/operando X-ray characterization of metal hydrides. ChemPhysChem, 20(10). 10.1002/cphc.201801185

White, J.L., Rowberg, A.J.E., Wan, L.F., Kang, S., Ogitsu, T., Kolasinski, R., Whaley, J.A., Baker, A.A., Lee, J.R.I., Liu, Y.S., Trotochaud, L., Guo, J., Stavila, V., Prendergast, D., Bluhm, H., Allendorf, M., Wood, B.C., el Gabaly, F., & el Gabaly, F. (2019). Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-Doped NaAlH 4. ACS Applied Materials and Interfaces, 11(5), pp. 4930-4941. 10.1021/acsami.8b17650

Stavila, V., Allendorf, M., & Allendorf, M. (2019). Hydrogen Materials Advanced Research Consortium (HyMARC): Sandia Technical Effort [Presentation]. https://www.osti.gov/biblio/1601757

White, J.L., Rowberg, A.J.E., Wan, L.F., Kang, S., Ogitsu, T., Kolasinski, R., Whaley, J.A., Baker, A.A., Lee, J.R.I., Liu, Y., Guo, J., Stavila, V., Prendergast, D., Bluhm, H., Allendorf, M., Wood, B.C., el Gabaly, F., & el Gabaly, F. (2019). Identifying the Role of Dynamic Surface Hydroxides in the Dehydrogenation of Ti-Doped NaAlH₄. ACS Applied Materials and Interfaces, 11(5). 10.1021/acsami.8b17650

Allendorf, M., Doty, F.P., Benin, A.I., Wang, T.C., Stavila, V., & Stavila, V. (2018). Exploiting MOF Luminosity and Porosity for In-Situ Detection of Xenon Isotopes [Conference Poster]. https://www.osti.gov/biblio/1761098

Stavila, V., White, J.L., Allendorf, M., & Allendorf, M. (2018). Nanostructured Metal Hydrides for Hydrogen Storage. Chemical Reviews, 118(22), pp. 10775-10839. 10.1021/acs.chemrev.8b00313

Thurmer, K., Stavila, V., Friddle, R., Leonard, F., Allendorf, M., Talin, A.A., Schneider, C., Fischer, R.A., & Fischer, R.A. (2018). Surface Morphology and Electrical Properties of Cu3BTC2 Thin Films before and after Reaction with TCNQ. ACS Applied Materials and Interfaces, 10(45), pp. 39400-39410. 10.1021/acsami.8b15158

Benin, A.I., Silva, C., Wijeratne, P., Talin, A.A., Allendorf, M., & Allendorf, M. (2018). MOF Deposition by Inkjet Printing for Electronic Applications [Conference Poster]. https://www.osti.gov/biblio/1575980

White, J.L., Rowberg, A.J.E., Wan, L., Kang, S., Ogitsu, T., Kolasinski, R., Whaley, J.A., Wang, T.C., Baker, A.A., Lee, J.R.I., Liu, Y., Guo, J., Stavila, V., Prendergast, D., Bluhm, H., Allendorf, M., Wood, B.C., el Gabaly, F., & el Gabaly, F. (2018). Role of Surface Oxidation in the Dehydrogenation of Complex Metal Hydrides [Conference Poster]. https://www.osti.gov/biblio/1576880

Allendorf, M., Hulvey, Z., Gennett, T., Ahmed, A., Autrey, T., Camp, J., Furukawa, H., Haranczyk, M., Head-Gordon, M., Karkamkar, A., di Liu, J., Long, J.R., Meihaus, K.R., Nayyar, I.H., Nazarov, R., Siegel, D.J., Stavila, V., Urban, J.J., Veccham, S.P., Wood, B.C., & Wood, B.C. (2018). An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage. Energy and Environmental Science, 11(10), pp. 2784-2812. https://doi.org/10.1039/c8ee01085d

Allendorf, M. (2018). HyMARC (Core): SNL Effort. 10.2172/1481556

Burtch, N.C., Heinen, J., Bennett, T.D., Dubbeldam, D., Allendorf, M., & Allendorf, M. (2018). Mechanical Properties in Metal–Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications. Advanced Materials, 30(37). 10.1002/adma.201704124

Allendorf, M., Foster, M.E., Sohlberg, K., Stavila, V., He, Y., So, M., Talin, A.A., & Talin, A.A. (2018). The Role of Defects in the semiconducting-metallic discrepancy in Metal-Organic Graphene Analogues [Conference Poster]. https://www.osti.gov/biblio/1594658

Allendorf, M., Stavila, V., Schindelholz, E., & Schindelholz, E. (2018). Quartz Crystal Microbalance Corrosion Diagnostic [Presentation]. https://www.osti.gov/biblio/1592049

Allendorf, M., Ullman, A.M., Jones, C.G., Doty, F.P., Stavila, V., Talin, A.A., & Talin, A.A. (2018). Hybrid Polymer/Metal-Organic Framework Films for Colorimetric Water Sensing over a Wide Concentration Range. ACS Applied Materials and Interfaces, 10(28), pp. 24201-24208. 10.1021/acsami.8b07377

Brenden, C.K., Kent, M.S., Zeng, J., Rader, N., Avina, I.C., Simoes, C.T., Busse, M., Watt, J.D., Giron, N.H., Alam, T.M., Allendorf, M., Simmons, B.A., Bell, N.S., Sale, K.L., & Sale, K.L. (2018). Lignin valorization to a water-soluble polyacid with comparable industrial dispersant performance [Presentation]. https://www.osti.gov/biblio/1806763

Allendorf, M., Doty, F.P., Benin, A.I., Stavila, V., Wang, T.C., Haas, D., & Haas, D. (2018). Exploiting MOF Luminosity and Porosity for In-Situ Detection of Radioisotopes [Conference Poster]. https://www.osti.gov/biblio/1806736

Zhou, X., Heo, T.W., Wood, B.C., Kang, S., Stavila, V., Allendorf, M., & Allendorf, M. (2018). Molecular dynamics studies of fundamental bulk properties of palladium hydrides for hydrogen storage. Journal of Applied Physics, 123(22). https://doi.org/10.1063/1.5022190

Allendorf, M. (2018). Nanoporosity and the Welcome Guest: Metal-Organic Frameworks for Hydrogen Storage Catalysis and Energy Conversion [Presentation]. https://www.osti.gov/biblio/1525707

Kent, M.S., Zeng, J., Rader, N., Avina, I.C., Simoes, C.T., Brenden, C.K., Busse, M., Watt, J.D., Giron, N.H., Allendorf, M., Simmons, B.A., Bell, N.S., Sale, K.L., & Sale, K.L. (2018). Efficient conversion of lignin into a water-soluble polymer by a chelator-mediated Fenton reaction: optimization of H ₂ O ₂ use and performance as a dispersant. Green Chemistry, 20(13). 10.1039/C7GC03459H

Allendorf, M., Foster, M.E., Spoerke, E.D., Domenico, J., Sohlberg, K., & Sohlberg, K. (2018). Effect of Solvent and Substrate on the Surface Binding Mode of Carboxylate-Functionalized Aromatic Molecules. Journal of Physical Chemistry C, 122(20), pp. 10846-10856. 10.1021/acs.jpcc.8b01526

Carr, C.L., Jayawardana, W., Zou, H., White, J.L., el Gabaly, F., Conradi, M.S., Stavila, V., Allendorf, M., Majzoub, E.H., & Majzoub, E.H. (2018). Anomalous H₂ Desorption Rate of NaAlH₄ Confined in Nitrogen-Doped Nanoporous Carbon Frameworks. Chemistry of Materials, 30(9). 10.1021/acs.chemmater.8b00305

Zhou, X., Stavila, V., Allendorf, M., Heo, T.W., Wood, B.C., Kang, S., & Kang, S. (2018). Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics. Scripta Materialia, 149. 10.1016/j.scriptamat.2018.02.010

White, J.L., Ohigashi, T., Ray, K.G., Liu, Y., Stavila, V., Allendorf, M., Guo, J., & Guo, J. (2018). Phase Evolution of Complex Metal Hydrides During De/Rehydrogenation. 10.2172/1515146

Foster, M.E., Allendorf, M., & Allendorf, M. (2018). Unraveling the Semiconducting/Metallic Discrepancy in Ni3(HITP)2. Journal of Physical Chemistry Letters, 9(3), pp. 481-486. 10.1021/acs.jpclett.7b03140

Zhou, X., Sills, R., Ward, D.K., Foster, M.E., Karnesky, R.A., Stavila, V., Allendorf, M., Wood, B.C., Heo, T.W., Kang, S., & Kang, S. (2018). Errors of Molecular Dynamics Simulations and ?Accurate? Al-Cu-H and Mg-H Potentials [Conference Poster]. https://www.osti.gov/biblio/1575330