Peng Zhang | Scholars@Duke

Peng Zhang
Associate Research Professor of Chemistry

Current Appointments & Affiliations

Associate Research Professor of Chemistry, Chemistry, Trinity College of Arts & Sciences 2018
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
Duke Appointment History
- Assistant Research Professor in the Department of Chemistry, Chemistry, Trinity College of Arts & Sciences 2011 - 2018
Research
Selected Grants
- Collaborative Research: Infra-Red Control of Electron Transfer Mechanisms awarded by National Science Foundation 2007 - 2019
- Mapping of Electron Tunneling Pathways in Proteins awarded by National Institutes of Health 1993 - 2019
- Biological Electron Transfer and Catalysis (BETCy) awarded by Montana State University 2016 - 2018
- Conductive DNA Systems and Molecular Devices awarded by Northwestern University 2011 - 2016
Publications & Artistic Works
Selected Publications
- Conference Papers
  - Sha, R, Xiang, L, Liu, C, Balaeff, A, Zhang, Y, Zhang, P, Li, Y, Beratan, D, Tao, N, and Seeman, N. "Charge splitters and charge transport junctions based on guanine quadruplexes." 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond. Boston, MA. August 19, 2018 - August 23, 2018.: AMER CHEMICAL SOC, August 19, 2018. Link to Item
  - Bai, Y, Rawson, J, Jean-Hubert, O, Zhang, P, and Therien, M. "Regulating long-wavelength absorptivity and phoptphysics of oligo(porphinato)metal(II) chromophores through variation of electronically excited state proquinoidal character." : AMER CHEMICAL SOC, August 20, 2016. Link to Item
  - Liu, C, Zhang, Y, Zhang, P, and Beratan, D. "Engineering nanometer-scale coherence in soft matter." : AMER CHEMICAL SOC, March 13, 2016. Link to Item
  - Rupakheti, C, Al-Saadon, R, Zhang, P, Virshup, A, Beratan, D, and Yang, W. "Development of property-biased diversity-oriented molecular libraries: Applications to organic light emitting diodes." : AMER CHEMICAL SOC, August 16, 2015. Link to Item
  - 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
  - Ru, X, Zhang, P, and Beratan, D. "Theoretical studies of cytochrome c peroxidase - cytochrome c electron transfer: The role of tryptophan." 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water. New Orleans, LA. March 18, 2018 - March 22, 2018.: AMER CHEMICAL SOC, March 18, 2018. Link to Item
- Journal Articles
  - Bloom, BP, Liu, R, Zhang, P, Ghosh, S, Naaman, R, Beratan, DN, and Waldeck, DH. "Directing Charge Transfer in Quantum Dot Assemblies." Accounts of Chemical Research 51, no. 10 (October 5, 2018): 2565-2573. Full Text
  - Ma, Z, Antoniou, P, Zhang, P, Skourtis, SS, and Beratan, DN. "A Nonequilibrium Molecular Dynamics Study of Infrared Perturbed Electron Transfer." Journal of Chemical Theory and Computation 14, no. 9 (September 2018): 4818-4832. Full Text
  - Ma, Z, Lin, Z, Lawrence, CM, Rubtsov, IV, Antoniou, P, Skourtis, SS, Zhang, P, and Beratan, DN. "How can infra-red excitation both accelerate and slow charge transfer in the same molecule?." Chemical Science 9, no. 30 (August 2018): 6395-6405. Full Text
  - Peters, JW, Beratan, DN, Bothner, B, Dyer, RB, Harwood, CS, Heiden, ZM, Hille, R, Jones, AK, King, PW, Lu, Y, Lubner, CE, Minteer, SD, Mulder, DW, Raugei, S, Schut, GJ, Seefeldt, LC, Tokmina-Lukaszewska, M, Zadvornyy, OA, Zhang, P, and Adams, MW. "A new era for electron bifurcation." Current Opinion in Chemical Biology 47 (August 2018): 32-38. (Review) Full Text
  - 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 13, no. 4 (April 2018): 316-321. Full Text
  - Liu, R, Bloom, BP, Waldeck, DH, Zhang, P, and Beratan, DN. "Improving Solar Cell Performance Using Quantum Dot Triad Charge-Separation Engines." The Journal of Physical Chemistry C 122, no. 11 (March 22, 2018): 5924-5934. 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 6, 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 8, 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-null. 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-null. 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-null. 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-null. 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." The Journal of Physical Chemistry. B 117, no. 49 (December 2013): 15903-15916. 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, 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." The Journal of Physical Chemistry C 117, no. 43 (October 31, 2013): 22250-22259. Full Text
  - Lewkow, NR, Kharchenko, V, and Zhang, P. "ENERGY RELAXATION OF HELIUM ATOMS IN ASTROPHYSICAL GASES." The Astrophysical Journal 756, no. 1 (September 1, 2012): 57-57. Full Text
  - 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

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Education, Training, & Certifications

Duke Appointment History

Selected Grants

Selected Publications

Conference Papers

Journal Articles