Staff information

Biography

Dr. DuBois is currently a Senior Scientist at Pacific Northwest National Laboratory. He joined PNNL in January 2006. From 1981-2005 Dr. DuBois was a Principal Scientist at the National Renewable Energy Laboratory and manager of the Synthesis and Catalysis team at NREL from 1985 to 2005. His research interests include studies of fuel production and fuel utilization reactions using molecular catalysts, synthetic organometallic and inorganic chemistry, and thermodynamic studies relevant to catalysis. New classes of molecular catalysts have been developed for CO₂ reduction, electrochemical CO₂ pumping, and for hydrogen oxidation and production. Methods for determining the thermodynamic properties of transition-metal hydride complexes are being developed to support a better understanding of the energetics of catalytic intermediates. Current research is also focusing on the role of proton relays in molecular electrocatalystic processes involving multiple proton and electron transfer reactions.

Research Interests

• Molecular electrocatalysis
• Thermodynamics of transition metal hydrides
• CO2 reduction catalysts
• Hydrogen production and oxidation catalysts

Education and Credentials

• Ph.D. in chemistry from Ohio State University
• B.A. in chemistry from Indiana Central University.

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. 
• Pool DH, and DL DuBois. 2009. "[Ni(PPh2NAr2)2(NCMe)][BF4]2 as an electrocatalyst for H2 production: PPh2NAr2 = 1,5-(di(4-(thiophene-3-yl)phenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane)." Journal of Organometallic Chemistry 694(17):2858-2865. 
• 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
• Liu J, GH Cao, Z Yang, D Wang, DL DuBois, XD Zhou, GL Graff, LR Pederson, and J Zhang. 2008. "Oriented Nanostructures for Energy Conversion and Storage." ChemSusChem 1(8-9):676-697. 
• Nimlos MR, CH Chang, CJ Curtis, A Miedaner, HM Pilath, and DL DuBois. 2008. "Calculated Hydride Donor Abilities of Five-Coordinate Transition Metal Hydrides [HM(diphosphine)2] (+) (M = Ni, Pd, Pt) as a Function of the Bite Angle and Twist Angle of Diphosphine Ligands." Organometallics 27(12):2715-2722.  doi:10.1021/om701218x
• 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
• Redin K, A Wilson, R Newell, MR DuBois, and DL DuBois. 2007. "Studies of Structural Effects on the Half-wave Potentials of Mononuclear and Dinuclear Nickel(II) Diphosphine/Dithiolate Complexes." Inorganic Chemistry 46(4):1268-1276.  doi:10.1021/ic061740x
• Wilson A, RK Shoemaker, A Miedaner, JT Muckerman, DL DuBois, and MR DuBois. 2007. "Nature of Hydrogen Interactions with Ni(II) Complexes Containing Cyclic Phosphine Ligands with Pendant Nitrogen Bases ." Proceedings of the National Academy of Sciences of the United States of America 104(17):6951-6956.  doi:10.1073/pnas.0608928104

2006

• DuBois DL, DM Blake, A Miedaner, CJ Curtis, MR DuBois, JA Franz, and JC Linehan. 2006. "Hydride Transfer from Rhodium Complexes to Triethylborane." Organometallics 25(18):4414-4419.  doi:10.1021/om060584z