Staff information
Mary DuBois
Materials Sciences
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K1-83
Richland, WA 99352
Send Email
Biography
Working at the Center for Molecular Electrocatalysis at Pacific Northwest National Laboratory, my current research involves the syntheses of molecular electrocatalysts for hydrogen oxidation and formation and the characterization of their structural features and electrochemical properties.
Over the past thirty years, my research interests have included the syntheses and studies of organometallic and metallosulfur complexes that function as catalysts or models for heterogeneous catalysts. Extensive studies of metallosulfur complexes have established new reactivity patterns with hydrogen and with small organic molecules that relate to those observed on metal sulfide surfaces. Organometallic complexes that function as electrocatalysts for hydrogen formation and hydrogen oxidation have been synthesized and characterized, and structural and electronic features of catalyst design have been developed.
Previous experience includes working as a Professor, Department of Chemistry, University of Colorado, Boulder; Visiting Professor, Department of Chemistry, University of California, Berkeley; and Guggenheim Fellow, California Institute of Technology and University of Colorado. I have been with Pacific Northwest National Laboratory since 2007.
Research Interests
- Organometallic and metallosulfur complexes that function as catalysts or models for heterogeneous catalysts
Education and Credentials
- B.S. in Chemistry, Summa Cum Laude, Creighton University, Omaha, Nebraska
- Ph.D. in Inorganic Chemistry, Ohio State University, Columbus, OH
- Postdoctoral Research Associate, Cornell University, Ithaca, New York
Affiliations and Professional Service
- College Personnel Committee on Tenure and Promotion
- National Science Foundation Review Panel for Young Investigator Awards
- American Chemical Society, Awards Canvassing Committee
- Editorial Board, Inorganic Chemistry
Awards and Recognitions
- Faculty Fellowship, University of Colorado
- Fellowship, Japanese Society for Promotion of Science
PNNL Publications
2009
- Appel AM, SJ Lee, JA Franz, DL DuBois, and M Rakowski DuBois. 2009. "Free Energy Landscapes for S-H Bonds in (Cp2Mo2S4)-Mo-star Complexes." Journal of the American Chemical Society 131(14):5224-5232. doi:10.1021/ja8093179
- Appel AM, SJ Lee, JA Franz, DL DuBois, M Rakowski DuBois, and B Twamley. 2009. "Determination of S-H Bond Strengths in Dimolybdenum Tetrasulfide Complexes." Organometallics 28(3):749-754.
- Rakowski DuBois M, and DL DuBois. 2009. "The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation." Chemical Society Reviews 38(1):62-72. doi:10.1039/b801197b
- Yang JY, RM Bullock, WJ Shaw, B Twamley, K Fraze, M Rakowski DuBois, and DL DuBois. 2009. "Mechanistic Insights into Catalytic H2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base." Journal of the American Chemical Society 131(16):5935-5945.
2008
- Appel AM, SJ Lee, JA Franz, DL DuBois, M Rakowski DuBois, JC Birnbaum, and B Twamley. 2008. "Formation and Reactivity of a Persistent Radical in a Dinuclear Molybdenum Complex." Journal of the American Chemical Society 130(28):8940-8951. doi:10.1021/ja078115r
- Jacobsen GM, JY Yang, B Twamley, A Wilson, RM Bullock, M Rakowski DuBois, and DL DuBois. 2008. "Hydrogen Production Using Cobalt-Based Molecular Catalysts Containing a Proton Relay in the Second Coordination Sphere." Energy & Environmental Science 1(1):167-174. doi:10.1039/b805309j
- Rakowski DuBois M, and DL DuBois. 2008. "The Role of Pendant Bases in Molecular Catalysts for H-2 Oxidation and Production." Comptes Rendus de L'Academie des Sciences. Serie IIc. Chimie 11(8):805-817. doi:10.1016/j.crci.2008.01.019
- Wilson A, K Fraze, B Twamley, SM Miller, DL DuBois, and M Rakowski DuBois. 2008. "The role of the second coordination sphere of [Ni(PCy2NBz2)2](BF4)2 in reversible carbon monoxide binding." Journal of the American Chemical Society 130(3):1061-1068. doi:10.1021/ja077328d
2007
- Fraze K, A Wilson, AM Appel, M Rakowski DuBois, and DL DuBois. 2007. "Thermodynamic Properties of the Ni-H Bond in Complexes of the Type [HNi(P2RN2R')2](BF4) and Evaluation of Factors that Control Catalytic Activity for Hydrogen Oxidation/Production." Organometallics 26(16):3918-3924. doi:10.1021/om070143v
- Jacobsen GM, RK Shoemaker, M Rakowski DuBois, and DL DuBois. 2007. "Syntheses and Reactions of Iron(II) Complexes Containing Diphosphine Ligands with Pendant Nitrogen Bases." Organometallics 26(20):4964-4971. doi:10.1021/om700510b
- Jacobsen GM, RK Shoemaker, MJ McNevin, M Rakowski DuBois, and DL DuBois. 2007. "Syntheses and Structural Characterizations of Iron(II) Complexes Containing Cyclic Diphosphine Ligands with Positioned Pendant Nitrogen Bases." Organometallics 26(20):5003-5009. doi:10.1021/om700601h
