Postdoctoral Research Associate
Postdoctoral Research Associate

Publications

2024

  • Guo Q., M. Pouvreau, K.M. Rosso, and A.E. Clark. 2024. "Mechanisms of Dissolution from Gibbsite Step Edges Elucidated by Ab Initio Molecular Dynamics with Enhanced Sampling." Geochimica et Cosmochimica Acta 366. PNNL-SA-182189. doi:10.1016/j.gca.2023.11.007
  • Wang H., E.T. Nienhuis-Marcial, T.R. Graham, M. Pouvreau, J.G. Reynolds, M.E. Bowden, and G.K. Schenter, et al. 2024. "Resolving intermediates during the growth of aluminum deuteroxide (Hydroxide) polymorphs in high chemical potential solutions." ACS Nano 7, no. _:Art. No. 199. PNNL-SA-195090. doi:10.1038/s42004-024-01285-1

2023

  • Pouvreau M., Q. Guo, H. Wang, G.K. Schenter, C.I. Pearce, A.E. Clark, and K.M. Rosso. 2023. "An Efficient Reactive Force Field without Explicit Coordination Dependence for Studying Caustic Aluminum Chemistry." The Journal of Physical Chemistry Letters 14, no. 30:6743-6748. PNNL-SA-184652. doi:10.1021/acs.jpclett.3c01176

2022

  • Liu W., M. Pouvreau, A.G. Stack, X. Yang, and A.E. Clark. 2022. "Concentration Dependent Interfacial Chemistry of the NaOH(aq):Gibbsite Interface." Physical Chemistry Chemical Physics 24, no. 35:20998-21008. PNNL-SA-165364. doi:10.1039/D2CP01997C
  • Nienhuis-Marcial E.T., M. Pouvreau, T.R. Graham, M.P. Prange, K. Page, J.S. Loring, and A.G. Stack, et al. 2022. "Structure and reactivity of sodium aluminate complexes in alkaline solutions." Journal of Molecular Liquids 367, no. Part A:Art. No. 120379. PNNL-SA-175319. doi:10.1016/j.molliq.2022.120379

2020

  • Dembowski M., M.P. Prange, M. Pouvreau, T.R. Graham, M.E. Bowden, A.T. N'Diaye, and G.K. Schenter, et al. 2020. "Inference of Principal Species in Caustic Aluminate Solutions Through Solid-State Spectroscopic Characterization." Dalton Transactions 49, no. 18:5869-5880. PNNL-SA-150681. doi:10.1039/d0dt00229a
  • Pouvreau M., E. Martinez-Baez, M. Dembowski, C.I. Pearce, G.K. Schenter, K.M. Rosso, and A.E. Clark. 2020. "Mechanisms of Al3+ dimerization in alkaline solutions." Inorganic Chemistry 59, no. 24:18181-18189. PNNL-SA-157574. doi:10.1021/acs.inorgchem.0c02660

2018

  • Pouvreau M., M. Dembowski, S.B. Clark, J.G. Reynolds, K.M. Rosso, G.K. Schenter, and C.I. Pearce, et al. 2018. "Ab Initio Molecular Dynamics Reveal Spectroscopic Siblings and Ion Pairing as New Challenges for Elucidating Prenucleation Aluminum Speciation." Journal of Physical Chemistry B 122, no. 29:7394-7402. PNNL-SA-132755. doi:10.1021/acs.jpcb.8b04377