Lawrence Livermore National Laboratory
- Ph.D., Materials Science and Engineering, MIT (2007)
- B.S., Physics; B.A., Slavic Languages and Literature, Stanford University (2001)
My primary research interests lie in the application of ab initio and mesoscale simulations and high-performance computing to materials for energy storage and conversion, as well as materials degradation. My research projects span the fields of hydrogen storage and generation, electrocatalysis, solid-state batteries, and corrosion science. A key focus area is the development of new approaches to better simulate realistic device operating environments, including reactive interfaces, electrochemical and voltage-induced phenomena, surface functionality, cooperative dynamics, and nonequilibrium behavior. I am also interested in the development of descriptors that use physiochemical principles to efficiently predict processes within high-throughput simulation environments, as well as methods for integrating simulation methods across broad ranges of scales.
In addition to my technical activities, I currently serve as Associate Program Lead for Hydrogen & Computational Energy Materials and Deputy Director of the Laboratory for Energy Applications for the Future (LEAF), an LLNL initiative focused on the development of advanced materials for energy applications. I am also the Theory Lead for the Hydrogen Storage--Advanced Research Consortium (HyMARC), funded by the Hydrogen & Fuel Cell Technologies Office within the DOE Office of Energy Efficiency and Renewable Energy. HyMARC focuses on foundational understanding of kinetic and thermodynamic limitations underlying solid-state hydrogen storage, and on the development of open tools for the hydrogen storage research community.
- S. Weitzner, S.A. Akhade, J.B. Varley, B.C. Wood, E.B. Duoss, S. Baker, and M. Otani, “Towards engineering of solution microenvironments for the CO2 reduction reaction: Unraveling pH and voltage effects from a combined density-functional-continuum theory,” J. Phys. Chem. Lett. 11, 4113 (2020).
- B.C. Wood, T.W. Heo, S. Kang, S. Li, and L.F. Wan, “Beyond idealized models of nanoscale metal hydrides for hydrogen storage,” Ind. Eng. Chem. Res. 59, 5786 (2020) [invited cover article].
- X. Zhang, T.A. Pham, T. Ogitsu, B.C. Wood, and S. Ptasinska, “Modulation of surface bonding topology: Oxygen bridges on OH-terminated InP (001),” J. Phys. Chem. C 124, 3196 (2020).
- M. Jørgensen, P.T. Shea, A.W. Tomich, J.B. Varley, M. Bercx, S. Lovera, R. Cerny, W. Zhou, T. J. Udovic, V. Lavallo, T. R. Jensen, B.C. Wood, and V. Stavila, “Understanding superionic conductivity of lithium and sodium salts of weakly coordinating closo-hexahalocarbaborate anions,” Chem. Mater. 32, 1475 (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, and J.J. Urban, “A mechanistic analysis of phase evolution and hydrogen storage behavior in nanocrystalline Mg(BH4)2 within reduced graphene oxide,” ACS Nano 14, 1745 (2020).
- T.W. Heo and B.C. Wood, “On thermodynamic and kinetic mechanisms for stabilizing surface solid solutions,” ACS Appl. Mater. Interfaces 11, 48487 (2019).
- X. Zhang, T. Ogitsu, B.C. Wood, T.A. Pham, and S. Ptasinska, “Oxidation induced polymerization of InP surface and implications for optoelectronic applications,” J. Phys. Chem. C 123, 30893 (2019).
- T.A. Pham, C. Zhan, M. Ceron, S. Hawks, M. Otani, B.C. Wood, M. Stadermann, and P. Campbell, “Specific ion effects at graphitic interfaces,” Nature Commun. 10, 4858 (2019) [cover article].
- 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, T.M. Mattox, K.G. Ray, J.D. Sugar, and B.C. Wood, “Investigating possible kinetic limitations to MgB2 hydrogenation,” Int. J. Hydrogen Energy 44, 31239 (2019).
- S.A. Hawks, M.R. Cerón, T.A. Pham, C. Zhan, C.K. Loeb, D. Mew, A. Deinhart, B.C. Wood, J.G. Santiago, M. Stadermann, and P.G. Campbell, “Using ultramicroporous carbon for the selective removal of nitrate with capacitive deionization,” Environ. Sci. Tech. 53, 10863 (2019) [cover article].
- M.R. Cerón, C. Zhan, P. Campbell, M. Freyman, C. Santoyo, L. Echegoyen, B.C. Wood, J. Biener, T.A. Pham, and M. Biener, “Integration of fullerenes as electron acceptors in 3D graphene networks: Enhanced charge transfer and stability through molecular design,” ACS Appl. Mater. Interfaces 11, 28818 (2019) [cover article].
- S. Kang, T.W. Heo, M.D. Allendorf, and B.C. Wood, “Morphology-dependent stability of complex metal hydrides and their intermediates using first-principles calculations,” ChemPhysChem 20, 1340 (2019) [invited article].
- L.F. Wan, E.S. Cho, T. Marangoni, P.T. Shea, S. Kang, C. Rogers, E.W. Zaia, R.R. Cloke, B.C. Wood, F.R. Fisher, J.J. Urban, and D. Prendergast, “Edge-functionalized graphene nanoribbon encapsulation to enhance stability and control kinetics of hydrogen storage materials,” Chem. Mater. 31, 2960 (2019).
- J.L. White, A.J.E. Rowberg, L.F. Wan, S. Kang, T. Ogitsu, R.D. Kolasinski, J.A. Whaley, A.A. Baker, J.R.I. Lee, Y.-S. Liu, L. Trotochaud, J. Guo, V. Stavila, D. Prendergast, H. Bluhm, M.D. Allendorf, B.C. Wood, and F. El Gabaly, “Identifying the role of dynamic surface hydroxides in the dehydrogenation of Ti-doped NaAlH4,” ACS Appl. Mater. Interfaces 11, 4930 (2019).
- X.W. Zhou, S. Kang, T.W. Heo, B.C. Wood, V. Stavila, and M.D. Allendorf, “An analytical bond order potential for Mg-H systems,” ChemPhysChem 20, 1404 (2019) [invited article].
- J. Ye, P. Shea, A. Baumgaertel, S. Bonev, M. Biener, M. Bagge-Hansen, Y.M. Wang, J. Biener, and B.C. Wood, “Amorphization as a pathway to fast charging kinetics in atomic layer deposition-derived titania films for lithium ion batteries,” Chem. Mater. 30, 8871 (2018).
- A. Schneemann, J.L. White, S. Kang, S. Jeong, L.F. Wan, E.S. Cho, T.W. Heo, D. Prendergast, J.J. Urban, B.C. Wood, M.D. Allendorf, and V. Stavila, “Nanostructured metal hydrides for hydrogen storage,” Chem. Rev. 118, 10775 (2018).
- C. Zhan, T.A. Pham, M.R. Ceron, P.G. Campbell, V. Vedharathinam, M. Otani, D. Jiang, J. Biener, B.C. Wood, and M. Biener, “Origins and implications of interfacial capacitance enhancements in C60-modified graphene supercapacitors,” ACS Appl. Mater. Interfaces 10, 36860 (2018).
- M.D. Allendorf, Z. Hulvey, T. Gennett, T. Autrey, J. Camp, H. Furukawa, M. Haranczyk, M. Head-Gordon, A. Karkamkar, D.-J. Liu, J.R. Long, K. Meihaus, I. Nayyar, R. Narazov, D. Siegel, V. Stavila, J.J. Urban, S. Veccham, and B.C. Wood, “An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage,” Energy Environ. Sci. 11, 2784 (2018) [perspective, selected as RSC “HOT” article].
- S. Kang, L.E. Klebanoff, A.A. Baker, D.F. Cowgill, V.N. Stavila, M.D. Allendorf, J.R.I. Lee, M.H. Nielsen, K.G. Ray, Y.-S. Liu, and B.C. Wood, “Assessing the reactivity of TiCl3 and TiF3 with hydrogen,” Int. J. Hydrogen Energy 43, 14507 (2018).
- X.W. Zhou, T.W. Heo, B.C. Wood, S. Kang, M.D. Allendorf, and V. Stavila, “Molecular dynamics studies of fundamental bulk properties of palladium hydrides for hydrogen storage,” J. Appl. Phys. 123, 225105 (2018).
- C.-T. Yang, B.C. Wood, V.R. Bhethanabotla, B. Joseph, “Electron injection study of photoexcitation effects on supported subnanometer Pt clusters for CO2 photoreduction,” Phys. Chem. Chem. Phys. 20, 15926 (2018).
- M. Dmitrievska, P. Shea, K.E. Kweon, M. Bercx, J.B. Varley, W.S. Tang, A.V. Skripov, V. Stavila, T.J. Udovic, and B.C. Wood, “Carbon incorporation and anion dynamics as synergistic drivers of ultrafast diffusion in superionic LiCB11H12 and NaCB11H12,” Adv. Energy Mater. 8, 1703422 (2018).
- X.W. Zhou, T.W. Heo, B.C. Wood, V. Stavila, S. Kang, and M.D. Allendorf, “Temperature- and concentration-dependent hydrogen diffusivity in palladium from statistically averaged molecular dynamics simulations,” Scripta Mater. 149, 103 (2018).
- A. Zevgolis, B.C. Wood, Z. Mehmedović, A. Hall, T. Alves, and N. Adelstein, “Alloying effects on superionic conductivity in lithium indium halides for all-solid-state batteries,” APL Mater. 6, 047903 (2018).
- T.A. Pham, X. Zhang, B.C. Wood, D. Prendergast, S. Ptasinska, and T. Ogitsu, “Integrating ab initio simulations and x-ray photoelectron spectroscopy: Toward a realistic description of oxidized solid/liquid interfaces,” J. Phys. Chem. Lett. 9, 194 (2018) [perspective, cover feature].
- K.E. Kweon, J.B. Varley, P. Shea, N. Adelstein, P. Mehta, T.W. Heo, T.J. Udovic, V. Stavila, and B.C. Wood, “Structural, chemical, and dynamical frustration: Origins of superionic conductivity in closo-borate solid electrolytes,” Chem. Mater. 29, 9142 (2017).
- E.S. Cho, A.M. Ruminski, Y.-S. Liu, P.T. Shea, S. Kang, E.W. Zaia, J.Y. Park, Y.-D. Chuang, X. Zhou, T.W. Heo, J. Guo, B.C. Wood, and J.J. Urban, “Hierarchically controlled inside-out doping of Mg nanocomposites for moderate temperature hydrogen storage,” Adv. Funct. Mater. 27, 1704316 (2017).
- K.G. Ray, L.E. Klebanoff, J.R.I. Lee, V. Stavila, S. Kang, T.W. Heo, M. Bagge-Hansen, J. White, P. Shea, Y.-S. Liu, and B.C. Wood, “Elucidating the mechanisms of MgB2 initial hydrogenation via a combined experiment-theory study,” Phys. Chem. Chem. Phys. 19, 22646 (2017) [cover feature, selected as RSC “HOT” article].
- Y. Liu, K.P. Hackenberg, J. Wu, J. Zhang, Y.M. Wang, Y. Yang, K. Keyshar, J. Gu, T. Ogitsu, R. Vajtai, J. Lou, P.M. Ajayan, B.C. Wood, and B.I. Yakobson, “Self-optimizing, highly surface-active layered metal dichalcogenide catalysts for hydrogen evolution,” Nature Energy 2, 17127 (2017) [cover feature, highlighted in Nature Energy News & Views].
- X.W. Zhou, T.W. Heo, B.C. Wood, V. Stavila, S. Kang, and M.D. Allendorf, “Finite-temperature PdHx elastic constants computed by direct molecular dynamics,” MRS Adv. 2, 3341 (2017).
- S. Kang, T. Ogitsu, S.A. Bonev, T.W. Heo, M.D. Allendorf, and B.C. Wood, “Understanding charge transfer at Mg/MgH2 interfaces for hydrogen storage,” ECS Trans. 77, 81 (2017).
- J. Varley, K. Kweon, P. Mehta, P. Shea, T.W. Heo, T. Udovic, V. Stavila, and B.C. Wood, “Understanding ionic conductivity trends in polyborane solid electrolytes from ab initio molecular dynamics,” ACS Energy Lett. 2, 250 (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, and P. Pakawatpanurut, “Nanointerface-driven reversible hydrogen storage in the nanoconfined Li-N-H system,” Adv. Mater. Interfaces 4, 1600803 (2017) [cover feature].
- N. Adelstein and B.C. Wood, “Role of dynamically frustrated bond disorder in a Li+ superionic solid electrolyte,” Chem. Mater. 28, 7218 (2016).
- T.A. Pham, S.M. Mortuza, B.C. Wood, E.Y. Lau, T. Ogitsu, S. Buchsbaum, Z.S. Siwy, F. Fornasiero, and E. Schwegler, “Salt solutions in carbon nanotubes: The role of cation-pi interactions,” J. Phys. Chem. C 120, 7332 (2016).
- T.W. Heo, M. Tang, L.-Q. Chen, and B.C. Wood, “Defects, entropy, and the stabilization of alternative phase boundaries in battery electrode particles,” Adv. Energy Mater., 1501759 (2016).
- J. Ye, Y. An, E. Montalvo, P. Campbell, M. Worsley, I. Tran, Y. Liu, B.C. Wood, J. Biener, H. Jiang, M. Tang, Y.M. Wang, “Solvent-directed solgel assembly of 3-dimensional graphene-tented metal oxides with strong disparities in synergistic lithium storage,” J. Mater. Chem. A (2016).