David N. Beratan

R.J. Reynolds Professor of Chemistry

Office Location: 
5311 French Science Center, Durham, NC 27708
Front Office Address: 
Box 90346, Durham, NC 27708-0346
Phone: 
(919) 660-1526

Overview

Dr. Beratan is developing theoretical approaches to understand the function of complex molecular and macromolecular systems, including: the molecular underpinnings of energy harvesting and charge transport in biology; the mechanism of solar energy capture and conversion in man-made structures; the nature of charge conductivity in naturally occurring nucleic acids and in synthetic constructs, including the photochemical repair of damaged DNA in extremophiles; CH bond activation by copper oxygenase enzymes; the flow of charge in bacterial appendages on the micrometer length scale; the theoretical foundations for inverse molecular design - the property driven discovery of chemical structures with optimal properties; the exploitation of molecular diversity in the mapping of molecular and materials "space"; the use of infra-red excitation to manipulate electron transport through molecules; the optical signatures of molecular chirality and the influence of chirality on charge transport. Prof. Beratan is affiliated with the Departments of Chemistry, Biochemistry, Physics, as well as Duke's programs in Computational Biology and Bioinformatics, Structural Biology and Biophysics, Nanosciences, and Phononics.  

Education & Training

  • Ph.D., California Institute of Technology 1986

  • B.S., Duke University 1980

Zhang, Y, Liu, C, Balaeff, A, Skourtis, SS, and Beratan, DN. "Biological charge transfer via flickering resonance." Proceedings of the National Academy of Sciences of the United States of America 111.28 (July 2014): 10049-10054. Full Text

Kuznetsov, AE, and Beratan, DN. "Structural and Electronic Properties of Bare and Capped Cd 33 Se 33 and Cd 33 Te 33 Quantum Dots." The Journal of Physical Chemistry C 118.13 (April 3, 2014): 7094-7109. Full Text

Migliore, A, Polizzi, NF, Therien, MJ, and Beratan, DN. "Biochemistry and theory of proton-coupled electron transfer." Chemical reviews 114.7 (April 2014): 3381-3465. (Review) Full Text

Venkatramani, R, Wierzbinski, E, Waldeck, DH, and Beratan, DN. "Breaking the simple proportionality between molecular conductances and charge transfer rates." Faraday discussions 174 (January 2014): 57-78. Full Text

Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Pham, TT, Mague, JT, Donahue, JP, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy." J Phys Chem B 117.49 (December 12, 2013): 15903-15916. Full Text

Wang, Y, King, JR, Wu, P, Pelzman, DL, Beratan, DN, and Toone, EJ. "Correction to "Enthalpic Signature of Methonium Desolvation Revealed in a Synthetic Host-Guest System Based on Cucurbit[7]uril"." J Am Chem Soc 135.46 (November 20, 2013): 17650-. Full Text

Bloom, BP, Zhao, L-B, Wang, Y, Waldeck, DH, Liu, R, Zhang, P, and Beratan, DN. "Ligand-Induced Changes in the Characteristic Size-Dependent Electronic Energies of CdSe Nanocrystals." JOURNAL OF PHYSICAL CHEMISTRY C 117.43 (October 31, 2013): 22401-22411. Full Text

Lin, J, Hu, X, Zhang, P, Van Rynbach, A, Beratan, DN, Kent, CA, Mehl, BP, Papanikolas, JM, Meyer, TJ, Lin, W, Skourtis, SS, and Constantinou, M. "Triplet Excitation Energy Dynamics in Metal-Organic Frameworks." JOURNAL OF PHYSICAL CHEMISTRY C 117.43 (October 31, 2013): 22250-22259. Full Text

Jiang, N, Kuznetsov, A, Nocek, JM, Hoffman, BM, Crane, BR, Hu, X, and Beratan, DN. "Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies." J Phys Chem B 117.31 (August 8, 2013): 9129-9141. Full Text

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