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Mehmed Ertem

Mehmed Ertem

Assistant Chemist

Chemistry Division
Building 555
Brookhaven National Laboratory
P.O. Box 5000
Upton, NY 11973-5000

Phone: 631-344-7310
FAX: 631-344-5818

Artificial Photosynthesis Group

Research Interests

  • Computational studies of homogeneous and heterogeneous catalysis by transition metal based systems
  • Artificial photosynthesis, water splitting, CO2 reduction, C-H activation


  • Ph.D. – University of Minnesota, Department of Chemistry, USA – 2012 (Advisor: Prof. Christopher J Cramer)
  • M.S. – Bogazici University, Department of Chemistry, Turkey – 2007 (Advisor: Prof. Viktorya Aviyente)
  • B.S. – Bogazici University, Department of Chemistry and Department of Molecular Biology & Genetics (Double Major), Turkey – 2005

Professional Employment

  • Assistant Chemist, Brookhaven National Laboratory, 2016 – present
  • Postdoctoral Research Associate, Brookhaven National Laboratory, 2014 – 2016
  • Postdoctoral Research Associate, Yale University, 2012 – 2014


  • “Chemical Computing Group (CCG) Excellence Award”, 239th ACS National Meeting, San Francisco, CA, USA (2010)
  • “Beaker and Bunsen Award”, 2010 Chemistry Graduate Student Research Symposium, Department of Chemistry, University of Minnesota (2010).
  • “Overend Award for Graduate Research in Physical Chemistry”, Department of Chemistry, University of Minnesota (2010).
  • “Doctoral Dissertation Fellowship (DDF)”, Graduate School, University of Minnesota (2011).
  • “Award for Doctoral Thesis Excellence”, Department of Chemistry, University of Minnesota (2013).
  • Honorable Mention for “Best Dissertation Award”, Graduate School, University of Minnesota (2013).

Selected Publications

  • Ertem, M. Z.; Himeda, Y.; Fujita, E.; Muckerman, J. T. "Interconversion of Formic Acid and Carbon Dioxide by Proton-Responsive, Half-Sandwich Cp*Ir(III) Complexes: A Computational Mechanistic Investigation" ACS Catalysis, 2016, 6, 600.
  • Garg, K.; Matsubara, Y.; Ertem, M. Z.; Lewandowska-Andralojc, A.; Sato, S.; Szalda, D. J.; Muckerman, J. T.; Fujita, E. "Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+ : Experimental and Computational Studies of their Hydricities, Interaction with CO2, and Photochemistry" Angewandte Chemie International Edition, 2015, 54, 14128.
  • Ertem, M. Z.; Kharche, N.; Batista, V. S.; Hybertsen, M. S.; Tully, J. C.; Muckerman, J. T. "Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step" ACS Catalysis, 2015, 5, 2317.
  • Suess, A. M.; Ertem, M. Z.; Cramer, C. J.; Stahl, S. S. "Divergence between Organometallic and Single-Electron Transfer Mechanisms in Copper(II)-Mediated Aerobic C–H Oxidation" Journal of the American Chemical Society, 2013, 135, 9797.
  • Ertem, M. Z.; Cramer, C. J.; Himo, F.; Siegbahn, P. "N-O Bond Cleavage Mechanism(s) in Nitrous Oxide Reductase" Journal of Biological Inorganic Chemistry, 2012, 17, 687.
  • Ertem, M. Z.; Gagliardi, L.; Cramer, C. J. "Quantum Chemical Characterization of the Mechanism of an Iron Based Water Oxidation Catalyst” Chemical Science, 2012, 3, 1293.
  • Bozoglian, F.; Romain, S.; Ertem, M. Z.; Todorova, T. K.; Sens, C.; Mola, J.; Rodriguez, M.; Romero, I.; Benet-Buchholz, J.; Fontrodona, X.; Cramer, C. J.; Gagliardi, L.; Llobet, A. "The Ru-Hbpp Water Oxidation Catalyst" Journal of the American Chemical Society, 2009, 131, 15176-15187.