Peng Zhang | Scholars@Duke

Peng Zhang
Assistant Research Professor in the Department of Chemistry

Current Appointments & Affiliations

Assistant Research Professor in the Department of Chemistry, Chemistry, Trinity College of Arts & Sciences 2011
Faculty Network Member of The Energy Initiative, Duke University Energy Initiative, Initiatives 2012

Contact Information

5313 French Science Center, Durham, NC 27705
Box 90346, Durham, NC 27705
peng.zhang@duke.edu (919) 660-1675

Background
Education, Training, & Certifications
- Postdoctoral Associate, Harvard Smithsonian Center For Astrophysics, Harvard University 2005 - 2011
- Ph.D., Emory University 2005
- M.S., Peking University (China) 1999
- B.S., Zhengzhou University (China) 1996
Research
Selected Grants
- Collaborative Research: Infra-Red Control of Electron Transfer Mechanisms awarded by National Science Foundation 2007 - 2019
- Biological Electron Transfer and Catalysis (BETCy) awarded by Montana State University 2016 - 2018
- Mapping of Electron Tunneling Pathways in Proteins awarded by National Institutes of Health 1993 - 2018
- Conductive DNA Systems and Molecular Devices awarded by Northwestern University 2011 - 2016
Publications & Artistic Works
Selected Publications
- Conference Papers
  - Yue, Y, Grusenmeyer, T, Zheng, M, Zhang, P, Schmehl, R, Beratan, D, and Rubtsov, I. "Electron transfer rate modulation in a compact Re(I) donor-acceptor complex." March 22, 2015. Link to Item
  - Lin, J, Migliore, A, Skourtis, SS, Virshup, A, Zhang, P, and Beratan, DN. "Addressing solar energy design and optimization challenges with theory." August 10, 2014. Link to Item
  - Tscherbul, TV, Zhang, P, Sadeghpour, HR, and Dalgarno, A. "Collision-induced spin exchange of alkali-metal atoms with 3 He." November 1, 2009. Full Text
- Journal Articles
  - Sha, R, Xiang, L, Liu, C, Balaeff, A, Zhang, Y, Zhang, P, Li, Y, Beratan, DN, Tao, N, and Seeman, NC. "Charge splitters and charge transport junctions based on guanine quadruplexes." Nature nanotechnology (February 26, 2018). Full Text
  - Yang, B, Zhang, P, Qu, C, Wang, XH, Stancil, PC, Bowman, JM, Balakrishnan, N, McLaughlin, BM, and Forrey, RC. "Full-Dimensional Quantum Dynamics of SiO in Collision with H2." The journal of physical chemistry. A 122, no. 6 (February 2018): 1511-1520. Full Text
  - Zhang, P, Yuly, JL, Lubner, CE, Mulder, DW, King, PW, Peters, JW, and Beratan, DN. "Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry." Accounts of chemical research 50, no. 9 (September 6, 2017): 2410-2417. Full Text
  - Bai, Y, Rawson, J, Roget, SA, Olivier, J-H, Lin, J, Zhang, P, Beratan, DN, and Therien, MJ. "Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation." Chemical science 8, no. 9 (September 2017): 5889-5901. Full Text
  - Liu, R, Bloom, BP, Waldeck, DH, Zhang, P, and Beratan, DN. "Controlling the Electron-Transfer Kinetics of Quantum-Dot Assemblies." The Journal of Physical Chemistry C 121, no. 27 (July 13, 2017): 14401-14412. Full Text
  - Beall, E, Ulku, S, Liu, C, Wierzbinski, E, Zhang, Y, Bae, Y, Zhang, P, Achim, C, Beratan, DN, and Waldeck, DH. "Effects of the Backbone and Chemical Linker on the Molecular Conductance of Nucleic Acid Duplexes." Journal of the American Chemical Society 139, no. 19 (May 2017): 6726-6735. Full Text
  - Liu, C, Xiang, L, Zhang, Y, Zhang, P, Beratan, DN, Li, Y, and Tao, N. "Engineering nanometre-scale coherence in soft matter." Nature chemistry 8, no. 10 (October 2016): 941-945. Full Text
  - Zhang, Y, Zhang, WB, Liu, C, Zhang, P, Balaeff, A, and Beratan, DN. "DNA charge transport: Moving beyond 1D." Surface Science 652 (October 2016): 33-38. Full Text
  - Yang, B, Balakrishnan, N, Zhang, P, Wang, X, Bowman, JM, Forrey, RC, and Stancil, PC. "Full-dimensional quantum dynamics of CO in collision with H2." The Journal of chemical physics 145, no. 3 (July 2016): 034308-. Full Text
  - Liu, C, Beratan, DN, and Zhang, P. "Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise." The journal of physical chemistry. B 120, no. 15 (April 2016): 3624-3633. Full Text
  - Rupakheti, C, Al-Saadon, R, Zhang, Y, Virshup, AM, Zhang, P, Yang, W, and Beratan, DN. "Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes." Journal of chemical theory and computation 12, no. 4 (April 2016): 1942-1952. Full Text
  - Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Pham, TT, Mague, JT, Donahue, JP, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Correction to "Evaluating the Extent of Intramolecular Charge Transfer in the Excited States of Rhenium(I) Donor-Acceptor Complexes with Time-Resolved Vibrational Spectroscopy"." The journal of physical chemistry. B 120, no. 3 (January 13, 2016): 596-. Full Text
  - Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Correction to Full Electron Ligand-to-Ligand Charge Transfer in a Compact Rhenium(I) Complex." The journal of physical chemistry. A 120, no. 3 (January 13, 2016): 473-. Full Text
  - Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Correction: Electron transfer rate modulation in a compact Re(i) donor-acceptor complex." Dalton transactions (Cambridge, England : 2003) 45, no. 2 (January 2016): 842-. Full Text
  - Antoniou, P, Ma, Z, Zhang, P, Beratan, DN, and Skourtis, SS. "Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime." Physical chemistry chemical physics : PCCP 17, no. 46 (December 2015): 30854-30866. Full Text
  - Lin, J, Balamurugan, D, Zhang, P, Skourtis, SS, and Beratan, DN. "Two-Electron Transfer Pathways." The journal of physical chemistry. B 119, no. 24 (June 2015): 7589-7597. Full Text
  - Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Electron transfer rate modulation in a compact Re(I) donor-acceptor complex." Dalton transactions (Cambridge, England : 2003) 44, no. 18 (May 2015): 8609-8616. Full Text
  - Beratan, DN, Liu, C, Migliore, A, Polizzi, NF, Skourtis, SS, Zhang, P, and Zhang, Y. "Charge transfer in dynamical biosystems, or the treachery of (static) images." Accounts of chemical research 48, no. 2 (February 2015): 474-481. (Review) Full Text
  - Yang, B, Zhang, P, Wang, X, Stancil, PC, Bowman, JM, Balakrishnan, N, and Forrey, RC. "Quantum dynamics of CO-H₂ in full dimensionality." Nature communications 6 (January 2015): 6629-. Full Text
  - Zhang, D, Peng, D, Zhang, P, and Yang, W. "Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation." Physical chemistry chemical physics : PCCP 17, no. 2 (January 2015): 1025-1038. Full Text
  - Peng, D, Yang, Y, Zhang, P, and Yang, W. "Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations." The Journal of chemical physics 141, no. 21 (December 2014): 214102-. Full Text
  - Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex." The journal of physical chemistry. A 118, no. 45 (November 2014): 10407-10415. 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, no. 49 (December 12, 2013): 15903-15916. Full Text Link to Item
  - 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, no. 43 (October 31, 2013): 22401-22411. Full Text Link to Item
  - 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, no. 43 (October 31, 2013): 22250-22259. Full Text Link to Item
  - Lewkow, NR, Kharchenko, V, and Zhang, P. "ENERGY RELAXATION OF HELIUM ATOMS IN ASTROPHYSICAL GASES." ASTROPHYSICAL JOURNAL 756, no. 1 (September 1, 2012). Full Text Link to Item
  - Gacesa, M, Zhang, P, and Kharchenko, V. "Non-thermal escape of molecular hydrogen from Mars." Geophysical Research Letters 39, no. 10 (May 28, 2012): n/a-n/a. Full Text
  - Loreau, J, Zhang, P, and Dalgarno, A. "Scattering of nitrogen molecules by silver atoms." JOURNAL OF CHEMICAL PHYSICS 136, no. 16 (April 28, 2012). Full Text Link to Item
  - Loreau, J, Zhang, P, and Dalgarno, A. "Elastic scattering and rotational excitation of nitrogen molecules by sodium atoms." The Journal of Chemical Physics 135, no. 17 (November 7, 2011): 174301-174301. Full Text
  - Bovino, S, Zhang, P, Kharchenko, V, and Dalgarno, A. "Relaxation of energetic S( 1 D) atoms in Xe gas: Comparison of ab initio calculations with experimental data." The Journal of Chemical Physics 135, no. 2 (July 14, 2011): 024304-024304. Full Text
  - Tscherbul, TV, Zhang, P, Sadeghpour, HR, and Dalgarno, A. "Anisotropic Hyperfine Interactions Limit the Efficiency of Spin-Exchange Optical Pumping of Nuclei." Physical Review Letters 107, no. 2 (July 2011). Full Text
  - Bovino, S, Zhang, P, Gianturco, FA, Dalgarno, A, and Kharchenko, V. "Energy transfer in O collisions with He isotopes and Helium escape from Mars." Geophysical Research Letters 38, no. 2 (January 2011): n/a-n/a. Full Text
  - Brahms, N, Tscherbul, TV, Zhang, P, Kłos, J, Forrey, RC, Au, YS, Sadeghpour, HR, Dalgarno, A, Doyle, JM, and Walker, TG. "Formation and dynamics of van der Waals molecules in buffer-gas traps." Physical Chemistry Chemical Physics 13, no. 42 (2011): 19125-19125. Full Text
  - Zhang, P, Dalgarno, A, Côté, R, and Bodo, E. "Charge exchange in collisions of beryllium with its ion." Physical Chemistry Chemical Physics 13, no. 42 (2011): 19026-19026. Full Text
  - Zhang, P, Sadeghpour, HR, and Dalgarno, A. "Structure and spectroscopy of ground and excited states of LiYb." The Journal of Chemical Physics 133, no. 4 (July 28, 2010): 044306-044306. Full Text
  - Brahms, N, Tscherbul, TV, Zhang, P, Kłos, J, Sadeghpour, HR, Dalgarno, A, Doyle, JM, and Walker, TG. "Publisher’s Note: Formation of van der Waals Molecules in Buffer-Gas-Cooled Magnetic Traps [Phys. Rev. Lett. 105 , 033001 (2010)]." Physical Review Letters 105, no. 5 (July 2010). Full Text
  - Brahms, N, Tscherbul, TV, Zhang, P, Kłos, J, Sadeghpour, HR, Dalgarno, A, Doyle, JM, and Walker, TG. "Formation of van der Waals Molecules in Buffer-Gas-Cooled Magnetic Traps." Physical Review Letters 105, no. 3 (July 2010). Full Text
  - Zhang, P, Bodo, E, and Dalgarno, A. "Near Resonance Charge Exchange in Ion−Atom Collisions of Lithium Isotopes †." The Journal of Physical Chemistry A 113, no. 52 (December 31, 2009): 15085-15091. Full Text
  - Zhang, P, Kharchenko, V, Dalgarno, A, Matsumi, Y, Nakayama, T, and Takahashi, K. "Zhang et al. Reply:." Physical Review Letters 103, no. 15 (October 2009). Full Text
  - Zhang, P, Dalgarno, A, and Côté, R. "Scattering of Yb and." Physical Review A 80, no. 3 (September 2009). Full Text
  - Zhang, P, Kharchenko, V, Jamieson, MJ, and Dalgarno, A. "Energy relaxation in collisions of hydrogen and deuterium with oxygen atoms." Journal of Geophysical Research: Space Physics 114, no. A7 (July 2009): n/a-n/a. Full Text
  - Tscherbul, TV, Zhang, P, Sadeghpour, HR, and Dalgarno, A. "Collision-induced spin exchange of alkali-metal atoms with : An ab initio study." Physical Review A 79, no. 6 (June 2009). Full Text
  - Kerkines, IS, Wang, Z, Zhang, P, and Morokuma, K. "Structures and energies of low-lying doublet excited states of N 3 from accurate configuration interaction calculations." Molecular Physics 107, no. 8-12 (April 20, 2009): 1017-1025. Full Text
  - Zhang, P, Maeda, S, Morokuma, K, and Braams, BJ. "Photochemical reactions of the low-lying excited states of formaldehyde: T1/S0 intersystem crossings, characteristics of the S1 and T1 potential energy surfaces, and a global T1 potential energy surface." The Journal of Chemical Physics 130, no. 11 (March 21, 2009): 114304-114304. Full Text
  - Wang, Z, Kerkines, ISK, Morokuma, K, and Zhang, P. "Analytical potential energy surfaces for N3 low-lying doublet states." The Journal of Chemical Physics 130, no. 4 (January 28, 2009): 044313-044313. Full Text
  - Bovino, S, Zhang, P, Kharchenko, V, and Dalgarno, A. "Trapping hydrogen atoms from a neon-gas matrix: A theoretical simulation." The Journal of Chemical Physics 131, no. 5 (2009): 054302-054302. Full Text
  - Shepler, BC, Epifanovsky, E, Zhang, P, Bowman, JM, Krylov, AI, and Morokuma, K. "Photodissociation Dynamics of Formaldehyde Initiated at the T 1 /S 0 Minimum Energy Crossing Configurations." The Journal of Physical Chemistry A 112, no. 51 (December 25, 2008): 13267-13270. Full Text
  - Tscherbul, TV, Zhang, P, Sadeghpour, HR, Dalgarno, A, Brahms, N, Au, YS, and Doyle, JM. "Collision-induced spin depolarization of alkali-metal atoms in cold gas." Physical Review A 78, no. 6 (December 2008). Full Text
  - Kerkines, ISK, Wang, Z, Zhang, P, and Morokuma, K. "Photodissociation of ClN3 at 157 nm: Theory suggests a pathway leading to cyclic N3." The Journal of Chemical Physics 129, no. 17 (November 7, 2008): 171101-171101. Full Text
  - Zhang, P, and Dalgarno, A. "Long-range interactions of ytterbium atoms." Molecular Physics 106, no. 12 (June 20, 2008): 1525-1529. Full Text
  - Bodo, E, Zhang, P, and Dalgarno, A. "Ultra-cold ion–atom collisions: near resonant charge exchange." New Journal of Physics 10, no. 3 (March 1, 2008): 033024-033024. Full Text
  - Zhang, P, Kharchenko, V, Dalgarno, A, Matsumi, Y, Nakayama, T, and Takahashi, K. "Approach to Thermal Equilibrium in Atomic Collisions." Physical Review Letters 100, no. 10 (March 2008). Full Text
  - Zhang, P, and Dalgarno, A. "Static Dipole Polarizability of Ytterbium †." The Journal of Physical Chemistry A 111, no. 49 (December 2007): 12471-12476. Full Text
  - Shepler, BC, Yang, BH, Dhilip Kumar, TJ, Stancil, PC, Bowman, JM, Balakrishnan, N, Zhang, P, Bodo, E, and Dalgarno, A. "Low energy H+CO scattering revisited ." Astronomy & Astrophysics 475, no. 2 (November 2007): L15-L18. Full Text
  - Zhang, P, Kharchenko, V, and Dalgarno, A. "Thermalization of suprathermal N( 4 ) atoms in He and Ar gases." Molecular Physics 105, no. 11-12 (June 10, 2007): 1487-1496. Full Text
  - Zhang, J, Zhang, P, Chen, Y, Yuan, K, Harich, SA, Wang, X, Wang, Z, Yang, X, Morokuma, K, and Wodtke, AM. "An experimental and theoretical study of ring closing dynamics in HN3." Physical chemistry chemical physics : PCCP 8, no. 14 (April 2006): 1690-1696. Full Text
  - Midey, AJ, Fernandez, AI, Viggiano, AA, Zhang, P, and Morokuma, K. "Ion chemistry of NOO+." The Journal of Chemical Physics 124, no. 11 (March 21, 2006): 114313-114313. Full Text
  - Midey, AJ, Viggiano, AA, Zhang, P, Irle, S, and Morokuma, K. "A Study of the Reaction of N + with O 2 : Experimental Quantification of NO + (a 3 ∑ + ) Production (298−500 K) and Computational Study of the Overall Reaction Pathways †." The Journal of Physical Chemistry A 110, no. 9 (March 2006): 3080-3086. Full Text
  - Liu, J, Zhang, P, Morokuma, K, and Sharma, RD. "A new mechanism for the production of highly vibrationally excited OH in the mesosphere: An ab initio study of the reactions of O2(AΣu+3andA′Δu3)+H." The Journal of Chemical Physics 122, no. 10 (March 8, 2005): 104315-104315. Full Text
  - Babikov, D, Kendrick, BK, Zhang, P, and Morokuma, K. "Cyclic-N3. II. Significant geometric phase effects in the vibrational spectra." The Journal of Chemical Physics 122, no. 4 (January 22, 2005): 044315-044315. Full Text
  - Zhang, P, Morokuma, K, and Wodtke, AM. "High-level ab initio studies of unimolecular dissociation of the ground-state N3 radical." The Journal of Chemical Physics 122, no. 1 (January 2005): 014106-014106. Full Text
  - Popovic, S, Midey, AJ, Williams, S, Fernandez, AI, Viggiano, AA, Zhang, P, and Morokuma, K. "Ion-molecule rate constants and branching ratios for the reaction of N3++O2 from 120 to 1400 K." The Journal of Chemical Physics 121, no. 19 (November 15, 2004): 9481-9488. Full Text
  - Babikov, D, Zhang, P, and Morokuma, K. "Cyclic-N3. I. An accurate potential energy surface for the ground doublet electronic state up to the energy of the 2A2/2B1 conical intersection." The Journal of Chemical Physics 121, no. 14 (October 8, 2004): 6743-6749. Full Text
  - Zhang, P, Irle, S, Morokuma, K, and Tschumper, GS. "Ab initio theoretical studies of potential energy surfaces in the photodissociation of the vinyl radical. I. Ã state dissociation." The Journal of Chemical Physics 119, no. 13 (October 2003): 6524-6538. Full Text
  - Zhang, P, and Morokuma, K. "Ab initio molecular orbital study of the weak transition of the vinyl radical." Chemical Physics Letters 367, no. 3-4 (January 2003): 482-488. Full Text

Some information on this profile has been compiled automatically from Duke databases and external sources. (Our About page explains how this works.) If you see a problem with the information, please write to Scholars@Duke and let us know. We will reply promptly.

Education, Training, & Certifications

Selected Grants

Selected Publications

Conference Papers

Journal Articles