Brandon Wood

  • Program Years: 2003-2007
  • Academic Institution: Massachusetts Institute of Technology
  • Field of Study: Computational Materials Science
  • Academic Advisor: Nicola Marzari
  • Practicum(s):
    Lawrence Berkeley National Laboratory (2005)
  • Degree(s):
    Ph.D. Materials Science and Engineering, Massachusetts Institute of Technology, 2007
    B.S. Physics, and B.A. Slavic Studies, Stanford University, 2001

Current Status

  • Status: Staff Scientist, Lawrence Livermore National Laboratory
  • Research Area: Computational Materials Science
  • Contact Information:
  • Comments

    Laboratory Lead and Theory Lead, DOE Fuel Cell Technologies Hydrogen Storage Materials - Advanced Research Consortium (HyMARC)
    Theory Coordinator, DOE Fuel Cell Technologies HydroGEN Advanced Water Splitting Materials Consortium


    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., accepted for publication (2017).

    T.A. Pham, X. Zhang, B.C. Wood, S. Ptasinska, and T. Ogitsu, “Probing the interplay between chemistry and electronic properties of native oxides at photoelectrochemical interfaces,” J. Phys. Chem. Lett., accepted for publication (2017).

    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).

    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).

    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. 6, 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 4, 4032 (2016).

    W.I. Choi, B.C. Wood, E. Schwegler, and T. Ogitsu, "Combinatorial search for high-activity hydrogen catalysts based on transition-metal-embedded graphitic carbons," Adv. Energy Mater. 5, 1501423 (2015).

    D.V. Esposito, J.B. Baxter, J. John, N.S. Lewis, T.P. Moffat, T. Ogitsu, G. O'Neil, T.A. Pham, A.A. Talin, J. Valazquez, and B.C. Wood, "Methods of photoelectrode characterization with high spatial and temporal resolution," Energy Environ. Sci. 8, 2863 (2015).

    S. R. Qiu, B.C. Wood, P.R. Ehrmann, S.G. Demos, P.E. Miller, K.I. Schaffers, T.I. Suratwala, and R. Brow, "Origins of optical absorption characteristics of Cu2+ complexes in aqueous solutions," Phys. Chem. Chem. Phys. 17, 18857 (2015).

    J. Ye, M.T. Ong, T.W. Heo, P. Campbell, M.A. Worsley, Y. Liu, S. Charnvanichborikarn, M.J. Matthews, J. Lewicki, M. Bagge-Hansen, J.R.I. Lee, B.C. Wood, and Y.M. Wang, "Universal roles of hydrogen in electrochemical performance of graphene: High rate capacity and atomistic origins," Sci. Rep. 5, 16190 (2015).

    C.-T. Yang, B.C. Wood, V.R. Bhethanabotla, B. Joseph, "The effect of the morphology of supported subnanometer Pt clusters on the first and key step of CO2 photoreduction," Phys. Chem. Chem. Phys. 17, 25379 (2015).

    T.W. Heo, L.-Q. Chen, and B.C. Wood, "Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating LiXFePO4 electrode particles," Comp. Mater. Sci. 108, 323 (2015).

    M.D. Radin, T. Ogitsu, M. Otani, J. Biener, and B.C. Wood, "Capacitive charge storage at an electrified interface investigated via direct first-principles simulations," Phys. Rev. B 91, 125415 (2015).

    Y. An, B.C. Wood, J. Ye, Y.-M. Chiang, Y.M. Wang, M. Tang, and H. Jiang, "Mitigating mechanical failure of crystalline silicon electrodes for lithium batteries by morphological design," Phys. Chem. Chem. Phys. 17, 17718 (2015).

    N. Kumar, M.D. Radin, B.C. Wood, T. Ogitsu, and D.J. Siegel, "Surface-mediated solvent decomposition in Li-air batteries: Impact of peroxide and superoxide surface terminations," J. Phys. Chem. C 119, 9050 (2015).

    M. Bagge-Hansen, B.C. Wood, T. Ogitsu, T.M. Willey, I.C. Tran, A. Wittstock, M. Biener, M. Merrill, M.A. Worsley, M. Otani, C.-H. Chuang, D. Prendergast, J. Guo, T.F. Baumann, T. van Buuren, J. Biener, and J.R.I. Lee, "Potential-induced electronic structure changes in supercapacitor electrodes observed by in operando soft X-ray spectroscopy," Adv. Mater. 27, 1512 (2015).

    J. Ye, S. Charnvanichborikarn, M.A. Worsley, S.O. Kucheyev, B.C. Wood, and Y.M. Wang, "Enhanced electrochemical performance of ion-beam-treated 3D graphene aerogels for lithium ion batteries," Carbon 85, 269 (2015).

    Y. Liu, Y.M. Wang, B.I. Yakobson, and B.C. Wood, "Assessing carbon-based anodes for lithium-ion batteries: A universal description of charge-transfer binding," Phys. Rev. Lett. 113, 028304 (2014).

    F. Zhang, B.C. Wood, Y. Wang, C.Z. Wang, K.M. Ho, and M.Y. Chou, "Ultrafast bulk diffusion of AlHx in high-entropy dehydrogenation intermediates of NaAlH4," J. Phys. Chem. C 118, 18356 (2014).

    C.-T. Yang, B.C. Wood, V.R. Bhethanabotla, B. Joseph, "CO2 adsorption on anatase TiO2(101) surfaces in the presence of subnanometer Ag/Pt clusters: Implications for CO2 photoreduction," J. Phys. Chem. C 118, 26236 (2014).

    K. Ulman, D. Bhaumik, B.C. Wood, and S. Narasimhan, "Physical origins of weak H2 binding on carbon nanostructures: Insight from ab initio studies of functionalized graphene nanoribbons," J. Chem. Phys. 140, 174708 (2014).

    P.G. Campbell, M.D. Merrill, B.C. Wood, E. Montalvo, M.A. Worsley, T.F. Baumann, and J. Biener, "Battery/supercapacitor hybrid via non-covalent functionalization of graphene macro-assemblies," J. Mater. Chem. A 2, 17764 (2014).

    D. Dutta, B.C. Wood, S.Y. Bhide, K.G. Ayappa, and S. Narasimhan, "Enhanced gas adsorption on graphitic substrates via defects and local curvature: A density functional theory study," J. Phys. Chem. C 118, 7741 (2014).

    B.C. Wood, E. Schwegler, W.I. Choi, and T. Ogitsu, "Surface chemistry of GaP(001) and InP(001) in contact with water," J. Phys. Chem. C 118, 1062 (2014).

    B.C. Wood, T. Ogitsu, M. Otani, and J. Biener, "First principles-inspired design strategies for graphene-based supercapacitor electrodes," J. Phys. Chem. C 118, 4 (2014).

    B.C. Wood, E. Schwegler, W.I. Choi, and T. Ogitsu, "Hydrogen-bond dynamics of water at the interface with InP/GaP(001) and the implications for photoelectrochemistry," J. Am. Chem. Soc. 135, 15774 (2013).

    W.I. Choi, B.C. Wood, E. Schwegler, and T. Ogitsu, "Site-dependent free energy barrier for proton reduction on MoS2 edges," J. Phys. Chem. C 117, 21772 (2013).

    B.C. Wood, T. Ogitsu, and E. Schwegler, "Local structural models of complex oxygen- and hydroxyl-rich GaP/InP(001) surfaces," J. Chem. Phys. 136, 064705 (2012).

    J. Biener, S. Dasgupta, L.-H. Shao, D. Wang, M.A. Worsley, A. Wittstock, J.R. Lee, M.M. Biener, C. Orme, S.O. Kucheyev, B.C. Wood, T.M. Willey, A.V. Hamza, J. Weissmuller, H. Hahn, and T.F. Baumann, "Macroscopic 3D nanographene with dynamically tunable bulk properties," Adv. Mater. 24, 5017 (2012).

    B.C. Wood, S. Bhide, D. Dutta, V.S. Kandagal, A.D. Pathak, S.N. Punnathanam, K.G. Ayappa, and S. Narasimhan, "Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study," J. Chem. Phys. 137, 054702 (2012).

    B.C. Wood, T. Ogitsu, and E. Schwegler, "Ab initio modeling of water-semiconductor interfaces for photocatalytic water splitting: The role of surface oxygen and hydroxyl," J. Photon. Energy 1, 016002 (2011).

    B.C. Wood and N. Marzari, "Dynamics and thermodynamics of a novel phase of NaAlH4," Phys. Rev. Lett. 103, 185901 (2009).

    B.C. Wood and N. Marzari, "Proton dynamics in superprotonic CsHSO4," Phys. Rev. B 76, 134301 (2007).

    B.C. Wood and N. Marzari, "Dynamical structure, bonding, and thermodynamics of the superionic sublattice in alpha-AgI," Phys. Rev. Lett. 97, 166401 (2006).

    J.W. Elmer, T.A. Palmer, W. Zhang, B. Wood, and T. DebRoy, "Kinetic modeling of phase transformations occurring in the HAZ of C-Mn steel welds based on direct observations," Acta Mater. 51, 3333 (2003).


    National Science Foundation International Research Postdoctoral Fellow (2007-2008)
    DOE Computational Science Graduate Fellow (2003-2007)
    DOE Fuel Cell Technologies Hydrogen Production R&D Award (2014)
    LLNL Early Career Recognition Award (2017)