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 simulation techniques and high-performance computing to materials for energy storage and conversion. Systems of interest include materials for hydrogen storage, photoelectrochemical cells, batteries, supercapacitors, and electrocatalysts.
Most of my research activites are centered on "beyond-ideal" materials modeling, which seeks to introduce additional complexities into conventional simulations in an effort to better simulate realistic device operating environments. Examples include process active at solid-liquid and solid-solid interfaces, electrochemical and voltage-induced phenomena, surface functionality, cooperative dynamics, and nonequilibrium behavior. Other key focus areas include the multiscale kinetics of physiochemical and electrochemical processes, as well as the integration of topological and graph-theoretic techniques to simplify and extend descriptions of complex bonding networks such as water. More broadly, I am also involved in the development of simple "descriptors" that use physiochemical principles to efficiently describe and predict processes within high-throughput simulation environments.
I am also the LLNL Laboratory Lead for the Hydrogen Storage Materials Advanced Research Consortium (HyMARC), funded by the Fuel Cell Technologies Office within the DOE Office of Energy Efficiency and Renewable Energy. HyMARC focuses on the foundational understanding of kinetic and thermodynamic phenomena underlying solid-state hydrogen storage, and on the development of open tools for the hydrogen storage research community.
- 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).
- 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) [cover feature].
- 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) [cover feature].
- 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).
- 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) [cover feature].
- 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).
- 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).
- 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, “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. Weissmüller, H. Hahn, and T.F. Baumann, “Macroscopic 3D nanographene with dynamically tunable bulk properties,” Adv. Mater. 24, 5017 (2012) [cover feature].
- 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).