Recent Publications

2017

• Spin-Selective Photoreduction of a Stable Radical within a Covalent Donor-Acceptor-Radical Triad. B.K. Rugg, B.T. Phelan, N.E. Horwitz, R.M. Young, M.D. Kryzaniak, M.A. Ratner, M.R. Wasielewski, The Journal of the American Chemical Society, 2017. 139 (44) 15660-15663. DOI: 10.1021/jacs.7b10458.
•  Can Molecular Quantum Interference Effect Transistors Survive Vibration?  S.G. Chen, W.J. Zhou, Q. Zhang, Y. Kwok, G.H. Chen, M.A. Ratner, Journal of the American Chemical Society, 2017. 8 (20) 5166-5170. DOI: 10.1021/acs.jpclett.7b02214.
• Light-responsive organic flashing electron ratchet. O. Kedem, B. Lau, M.A. Ratner, E.A. Weiss, Proceedings of the National Academy of Sciences of the United States of America, 2017. 114 (33) 8698-8703. DOI: 10.1073/pnas.1705973114.
• Redfield Treatment of Multipathway Electron Transfer in Artificial Photosynthetic Systems. D.D. Powell, M.R. Wasielewski, M.A. Ratner, Journal of Physical Chemsitry B, 2017. 121 (29) 7190-7203. DOI: 10.1021/acs.jpcb.7b02748.
• Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics. N. D. Eastham, A. S. Dudnik, B.Harutyunyan, T. J. Aldrich, M.J. Leonardi, E. F. Manley, M. R. Butler, T. Harschneck, M. A. Ratner, L. X. Chen, M. J. Bedzyk, F.S. Melkonyan, A. Facchetti, R. P. H. Chang, and T. J. Marks, ACS Energy Letters, 2017 2 (7), 1690-1697. DOI: 10.1021/acsenergylett.7b00486.
• Semiempirical modeling of electrochemical charge transfer. R.L. Gieseking, M.A. Ratner, G.C. Schatz, Faraday Discussions, 2017. 199, 547-563. DOI: 10.1039/c6fd00234j.
• Resonant energy transfer under the influence of the evanescent field from the metal. A. Poudel, X. Chen, M.A. Ratner, Journal of Chemical Physics, 2017. 146 (24) 244115. DOI: 10.1063/1.4990573.
• A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime. S.T. Olsen, M. Nielsen, T. Hansen, M.A. Ratner, K.V. Mikkelsen, Chem Phys Chem, 2017. 18 (12) 1517-1525. DOI: 10.1002/cphc.201700140.
• Chain Length Dependence of the Dielectric Constant and Polarizability in Conjugated Organic Thin Films. C. Van Dyck, T.J. Marks, M.A. Ratner, ACS Nano, 2017. 11 (6) 5970-5981. DOI: 10.1021/acsnano.7b01807.
• Systematic evaluation of structure-property relationships in heteroacene – diketopyrrolopyrrole molecular donors for organic solar cells. S. Loser, S.J. Lou, B.M. Savoie, C.J. Bruns, A. Timalsina, M.J. Leonardi, J. Smith, T. Harschneck, R. Turrisi, N. Zhou, C.L. Stern, A.A. Sarjeant, A. Facchett, R.P.H., Chang, S.I. Stupp, M.A. Ratner, L.X. Chen, T.J. Marks, Journal of Materials Chemistry A, 2017. 6 (19) 9217-9232. DOI: 10.1039/c7ta02037f .
• Using coherence to enhance function in chemical and biophysical systems. G.D. Scholes, G.R. Fleming, L.X. Chen, A. Aspuru-Guzik, A. Buchleitner, D.F. coker, G.S. Engel, R. van Grondelle, A. Ishizaki, D.M. Jonas, J.S. Lundeen, J.K. McCuscker, S. Mukamel, J.P. Ogilvie, A. Olaya-Castro, M.A. Ratner, F.C. Spano, K.B. Whaley, X.Y. Zhu, Nature, 2017. 543 (7647) 647-656. DOI: 10.1038/nature21425.
• Effect of the reflectional symmetry on the coherent hole transport across DNA hairpins. M. Zarea, Y. Berlin, M.A. Ratner, Journal of Chemical Physics, 2017. 146 (11) 114105. DOI: 10.1063/1.4978571.
• Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers. M.A. Mosquera, N.E. Jackson, T.J. Fauvell, M.S. Kelley, L.X. Chen, G.C. Schatz, M.A. Ratner, Journal of the American Chemical Society, 2017. 139 (10) 3728-3735. DOI: 10.1021/jacs.6b12405.
• Probing Molecular-Transport Properties using the Superconducting Proximity Effect. E. Katzir, N. Sukenik, Y. Kalcheim, H. Alpern, S. Yochelis, Y.A. Berlin, M.A. Ratner, O. Millo, Y. Paltiel, Small Methods,  2017. 1 (3)  1600034 DOI: 10.1002/smtd.201600034 .
• Intermediate tunnelling-hopping regime in DNA charge transport. L.M. Xiang, J.L. Palma, C. Bruot, V. Mujica, M.A. Ratner, N.J. Tao, Nature Chemistry, 2017. 9 (3), 295-295. DOI: 10.1038/NCHEM.2731.
• Gate-controlled conductance switching in DNA. L.M. Xiang, J.L. Palma, Y.Q. Li, V. Mujica, M.A. Ratner, N.J. Tao, Nature Communications, 2017. 8 (14471). DOI: 10.1038/ncomms14471.
• Stepwise “Dark Photoswitching” of Photochromic Dimers in a Junction. S.T. Olsen, T. Hansen, M.B. Nielsen, M.A. Ratner, K.V. Mikkelsen, Journal of Physical Chemistry C, 2017. 121 (6), 3163-3170. DOI: 10.1021/acs.jpcc.6b10410.
• Molecular Junctions: Control of the Energy Gap Achieved by a Pinning Effect. C. Van Dyck, M.A. Ratner, Journal of Physical Chemistry C, 2017. 121 (5), 3013-3024. DOI: 10.1021/acs.jpcc.6b07855.
• Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains. A.G. Gagorik, B. Savoie, N. Jackson, A. Agrawal, A. Choudhary, M.A. Ratner, G.C. Schatz, K. Kohlstedt, Journal of Physical Chemistry Letters, 2017. 8 (2), 415-421. DOI: 10.1021/acs.jpclett.6b02921.
• A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters. A.P. Ashwell, M.A. Ratner, G.C. Schatz, Advances in Quantum Chemistry: Ratner Volume, 2017. 75 (117-145). DOI: 10.1016/bs.aiq.2017.01.001.

2016

• Implementation of INDO/SCI with COSMO Implicit Solvation and Benchmarking for Solvatochromic Shifts. R.L. Gieseking, M.A. Ratner, G.C. Schatz, Journal of Physical Chemistry A, 2016. 120 (49), 9878-9885. DOI: 10.1021/acs.jpca.6b10487 .
• Single Molecule Electrochemistry: Impact of Surface Site Heterogeneity. B. Fu, C. Van Dyck, S. Zaleski, R.P. Van Duyne, M.A. Ratner, Journal of Physical Chemistry C, 2016. 120 (48), 27241-27249. DOI: 10.1021/acs.jpcc.6b05252.
• Electronic Structure and Potential Reactivity of Silaaromatic Molecules. Y. Yang, M.A. Mosquera, K. Skinner, A.E. Becerra, V. Shamamian, G.C. Schatz, M.A. Ratner, T.J. Marks, Journal of Physical Chemistry A, 2016. 120 (47) DOI: 10.1021/acs.jpca.6b09526.
• A n-vector model for charge transport in molecular semiconductors. N.E. Jackson, K.L. Kohlstedt, L.X. Chen, M.A. Ratner, Journal of Chemical Physics, 2016. 145 (20), 204102. DOI: 10.1063/1.4967865.
• Quantum Mechanical Identification of Quadrupolar Plasmonic Excited States in Silver Nanorods. R.L. Gieseking, M.A. Ratner, G.C. Schatz, Journal of PHyscial Chemistry A, 2016. 120 (46), 9324-9329. DOI: 10.1021/acs.jpca.6b09649.
• Polarizability as a Molecular Descriptor for Conductance in Organic Molecular Circuits. S.K. Mazinani, R.V. Meidanshahi, J.L. Palma, P. Tarakeshwar, T. Hansen, M.A. Ratner, V. Mujica, Journal of Physical Chemistry C, 2016. 120 (45), 26054-26060. DOI: 10.1021/acs.jpcc.6b06241.
• Deep-hole transfer leads to ultrafast charge migration in DNA hairpins. N. Renaud, M.A. Harris, A.P.N., Singh, Y.A. Berlin, M.A. Ratner, M.R. Wasielewski, F.D. Lewis, F.C. Grozema, Nature Chemistry, 2016. 8 (11), 1015-1021. DOI: 10.1038/NCHEM.2590.
• Boron Subphthalocyanine Based Molecular Triad Systems for the Capture of Solar Energy. F.E. Storm, S.T. Olsen, T. Hansen, L. De Vico, N.E. Jackson, M.A. Ratner, K.V. Mikkelsen, Journal of Physical Chemistry A, 2016. 120 (39), 7694-7703. DOI: 10.1021/acs.jpca.6b05518.
• Computational Study of the Resonance Enhancement of Raman Signals of Ligands Adsorbed to CdSe Clusters through Photoexcitation of the Cluster. N.K. Swenson, M.A. Ratner, E.A. Weiss, Journal of Physical Chemistry C, 2016. 120 (37), 20954-20960. DOI: 10.1021/acs.jpcc.6b02804.
• Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics. H.M. Heitzer, T.J. Marks, M.A. Ratner, Accounts of Chemical Research, 2016. 49 (9), 1614-1623. DOI: 10.1021/acs.accounts.6b00173.
• Charge transport network dynamics in molecular aggregates. N.E. Jackson, L.X. Chen, M.A. Ratner, Proceedings of the National Academy of Sciences of the United States of America, 2016. 113 (31), 8595-8600. DOI: 10.1073/pnas.1601915113.
• Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation. R.L. Gieseking, M.A. Ratner, G.C. Schatz, Journal of Physical Chemistry A, 2016. 120 (26), 4542-4549. DOI: 10.1021/acs.jpca.6b04520.
• Identification of two mechanisms for current production in a biharmonic flashing electron ratchet. B. Lau, O. Kedem, M.A. Ratner, E.A. Weiss, Physical Review E, 2016. 93 (6), 062128. DOI: 10.1103/PhysRevE.93.062128.
• Covalently bonded single-molecule junctions with stable and reversible photoswitched conductivity. Jia, CC; Migliore, A; Xin, N; Huang, SY; Wang, JY; Yang, Q; Wang, SP; Chen, HL; Wang, DM; Feng, BY; Liu, ZR; Zhang, GY; Qu, DH; Tian, H; Ratner, MA; Xu, HQ; Nitzan, A; Guo, XF, Science, 2016. 352 (6292), 1443-1445. DOI: 10.1126/science.aaf6298.
• Bithiophenesulfonamide Building Block for pi-Conjugated Donor-Acceptor Semiconductors. F.S. Melkonyan, W. Zhao, M. Drees, N.D. Eastham, M.J. Leonardi, M.R. Butler, Z.H. Chen, X.G. Yu, R.P.H. Chang, M.A. Ratner, A.F. Fachetti, T.J. Marks, Journal of the American Chemical Society, 138 (22), 6944-6947. DOI: 10.1021/jacs.6b03498.
• Nanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy. N. Jiang, N.H. Chiang, L.R. Madison, E.A. Pozzi, M.R. Wasiewlewski, T. Seideman, M.A. Ratner, M.C. Hersam, G.C. Schatz, R.P. Van Duyne, Nano Letters, 2016. 16 (6) 3898-3904. DOI: 10.1021/acs.nanolett.6b01405.
• Sequential double excitations from linear-response time-dependent density functional theory. M.A. Mosquera, L.X. Chen, M.A. Ratner, G.C. Schatz, Journal of Chemical Physics, 2016. 144 (20), 204105. DOI: 10.1063/1.4950876.
• Photophysical and Morphological Implications of Single-Strand Conjugated Polymer Folding in Solution. T.J. Fauvell, T.Y. Zheng, N.E. Jackson, M.A. Ratner, L.P. Yu, L.X. Chen, Chemistry of Materials, 28 (8). 2814-2822. DOI: 10.1021/acs.chemmater.6b00734.
• Computational Study of the Influence of the Binding Geometries of Organic Ligands on the Photoluminescence Quantum Yield of CdSe Clusters. N.K. Swenson, M.A. Ratner, E.A. Weiss, Journal of Physical Chemistry C, 2016. 120 (12), 6859-6868. DOI: 10.1021/acs.jpcc.5b12770.
• Enhancement of Resonant Energy Transfer Due to an Evanescent Wave from the Metal. A. Poudel, X. Chen, M.A. Ratner, Journal of Physical Chemistry Letters, 2016. 7 (6), 955-960. DOI: 10.1021/acs.jpclett.6b00119.
• Connection between Hybrid Functionals and Importance of the Local Density Approximation. M.A. Mosquera, C.H. Borca, M.A. Ratner, G.C. Schatz, Journal of Physical Chemistry A, 2016. 120 (9), 1605-1612. DOI: 10.1021/acs.jpca.5b10864.
• Two-Dimensional gamma-Graphyne Suspended on Si(111): A Hybrid Device. A. Saraiva-Souza, M. Smeu, L. Zhang, M.A. Ratner, H. Guo, Journal of Physical Chemistry C, 2016. 120 (8), 4605-4611. DOI: 10.1021/acs.jpcc.5b11235.
• Non-exponential Length Dependence of Conductance in Iodide Terminated Oligothiophene Single-Molecule Tunneling Junctions. L.M. Xiang, T. Hines, J.L. Palma, X.F. Lu, V. Mujica, M.A. Ratner, G. Zhou, N.J. Tao, Journal of the American Chemical Society, 2016. 138 (2), 679-687. DOI: 10.1021/jacs.5b11605.
• Review of Plasmon-Induced Hot-Electron Dynamics and Related SERS Chemical Effects. R.L. Gieseking, M.A. Ratner, G.C. Schatz, Frontiers of Plasmon Enhanced Spectroscopy VOL 1, 2016. 1245, 1-22. DOI: 10.1021/bk-2016-1246.
• Pecularities of pore relaxation in nanoclusters. M.A. Ratner, V.V. Yanovsky, Functional Materials, 2016. 23 (4) 612-617. DOI: 10.15407/fm23.04.612.
• Ring-fusion as a perylenediimide dimer design concept for high-performance non-fullerene organic photovoltaic acceptors. P.E. Hartnett, H.S.S.R, Matte, N.D. Eastham, N.E. Jackson, Y.L. Wu, L.X., Chen, M.A. Ratner, R.P.H., Chang, M.C. Hersam, M.R. Wasiewlewski, T.J. Marks, Chemical Science, 2016. 7 (6), 3543-3555. DOI: 10.1039/c5sc04956c.

2015

• Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems.  G.Q. Li, N. Govind, M.A. Ratner, C.J. Cramer, L. Gagliardi, Journal of Physical Chemistry Letters, 2015. 6 (24), 4889-4897. DOI: 10.1021/acs.jpclett.5b02154.
• Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of pi-System Elongation and Interplanar Torsion on Hyperpolarizability. Y.R. Shi, D. Frattarelli, N. Watanabe, A. Facchetti, E. Cariati, S. Righetto, E. Tordin, C. Zuccaccia, A. Macchioni, S.L. Wgener, C.L. Stern, M.A. Ratner, T.J. Marks, Journal of the American Chemical Society, 137 (39) 12521-12538. DOI: 10.1021/jacs.5b04636.
• Spin polarization transfer by the radical pair mechanism. M. Zarea, M. A. Ratner and M. R. Wasielewski, The Journal of chemical physics, 2015. 143(5), 054101-054101.DOI: 10.1063/1.4927589.
• Large Dipolar Spin-Spin Interaction in a Photogenerated U-Shaped Triradical. D. M. Gardner, H.-F. Chen, M. D. Krzyaniak, M. A. Ratner and M. R. Wasielewski, Journal of Physical Chemistry A, 2015. 119(29), 8040-8048.DOI: 10.1021/acs.jpca.5b03048.
• Conformationally Gated Charge Transfer in DNA Three-Way Junctions. Y. Zhang, R. M. Young, A. K. Thazhathveetil, A. P. N. Singh, C. Liu, Y. A. Berlin, F. C. Grozema, F. D. Lewis, M. A. Ratner, N. Renaud, K. Siriwong, A. A. Voityuk, M. R. Wasielewski and D. N. Beratan, Journal of Physical Chemistry Letters, 2015. 6(13), 2434-2438.DOI: 10.1021/acs.jpclett.5b00863.
• Quantitative Interpretations of Break Junction Conductance Histograms in Molecular Electron Transport. R. Quan, C. S. Pitler, M. A. Ratner and M. G. Reuter, Acs Nano, 2015. 9(7), 7704-7713.DOI: 10.1021/acsnano.5b03183.
• Harnessing Quantum Interference in Molecular Dielectric Materials. J. P. Bergfield, H. M. Heitzer, C. Van Dyck, T. J. Marks and M. A. Ratner, Acs Nano, 2015. 9(6), 6412-6418.DOI: 10.1021/acsnano.5b02042.
• Molecular Donor-Bridge-Acceptor Strategies for High-Capacitance Organic Dielectric Materials.H. M. Heitzer, T. J. Marks and M. A. Ratner, Journal of the American Chemical Society, 2015. 137(22), 7189-96.DOI: 10.1021/jacs.5b03301.
• Conformational Order in Aggregates of Conjugated Polymers. N. E. Jackson, K. L. Kohlstedt, B. M. Savoie, M. O. de la Cruz, G. C. Schatz, L. X. Chen and M. A. Ratner, Journal of the American Chemical Society, 2015. 137(19), 6254-6262.DOI: 10.1021/jacs.5b00493.
• Charge Transport across DNA-Based Three-Way Junctions. R. M. Young, A. P. N. Singh, A. K. Thazhathveetil, V. Y. Cho, Y. Zhang, N. Renaud, F. C. Grozema, D. N. Beratan, M. A. Ratner, G. C. Schatz, Y. A. Berlin, F. D. Lewis and M. R. Wasielewski, Journal of the American Chemical Society, 2015. 137(15), 5113-5122.DOI: 10.1021/jacs.5b000931.
• Metal-Free Tetrathienoacene Sensitizers for High-Performance Dye-Sensitized Solar Cells. N. Zhou, K. Prabakaran, B. Lee, S. H. Chang, B. Harutyunyan, P. Guo, M. R. Butler, A. Timalsina, M. J. Bedzyk, M. A. Ratner, S. Vegiraju, S. Yau, C.-G. Wu, R. P. H. Chang, A. Facchetti, M.-C. Chen and T. J. Marks, Journal of the American Chemical Society, 2015. 137(13), 4414-4423.DOI: 10.1021/ja513254z.
• Comment on “Frequency-domain stimulated and spontaneous light emission signals at molecular junctions” J. Chem. Phys. 141, 074107 (2014). M. Galperin, M. A. Ratner and A. Nitzan, Journal of Chemical Physics, 2015. 142(13).DOI: 10.1063/1.4916523.\
• Is Molecular Rectification Caused by Asymmetric Electrode Couplings or by a Molecular Bias Drop? G. Zhang, M. A. Ratner and M. G. Reuter, Journal of Physical Chemistry C, 2015. 119(11), 6254-6260.DOI: 10.1021/jp5093515.
• A Simple Index for Characterizing Charge Transport in Molecular Materials. N. E. Jackson, B. M. Savoie, L. X. Chen and M. A. Ratner, Journal of Physical Chemistry Letters, 2015. 6(6), 1018-1021.DOI: 10.1021/acs.jpclett.5b00135.
• Molecular Rectifiers: A New Design Based on Asymmetric Anchoring Moieties. C. Van Dyck and M. A. Ratner, Nano Letters, 2015. 15(3), 1577-1584.DOI: 10.1021/nl504091v.
• Electron Pairing in Designer Materials: A Novel Strategy for a Negative Effective Hubbard. U. M. R. Butler, B. Movaghar, T. J. Marks and M. A. Ratner, Nano Letters, 2015. 15(3), 1597-1602.DOI: 10.1021/nl5041176.
• Tunable Quantum Temperature Oscillations in Graphene Nanostructures. J. P. Bergfield, M. A. Ratner, C. A. Stafford and M. Di Ventra, Physical Review B, 2015. 91(12). DOI: 10.1103/PhysRevB.91.125407.
• Intermediate Tunnelling-hopping Regime in DNA Charge Transport. L. Xiang, J. L. Palma, C. Bruot, V. Mujica, M. A. Ratner and N. Tao, Nature Chemistry, 2015. 7(3), 221-226. DOI: 10.1038/nchem.2183.
• The Scope and Limitations of Ternary Blend Organic Photovoltaics.B. M. Savoie, S. Dunaisky, T. J. Marks and M. A. Ratner, Advanced Energy Materials, 2015. 5(3). DOI: 10.1002/aenm.201400891.
• Towards Graphyne Molecular Electronics. Z. Li, M. Smeu, A. Rives, V. Maraval, R. Chauvin, M. A. Ratner and E. Borguet, Nature Communications, 2015. 6. DOI: 10.1038/ncomms7321.
• Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States. B. S. Veldkamp, X. Liu, M. R. Wasielewski, J. E. Subotnik and M. A. Ratner, Journal of Physical Chemistry A, 2015. 119(2), 253-262. DOI: 10.1021/jp508337x.
• The Next Breakthrough for Organic Photovoltaics? N. E. Jackson, B. M. Savoie, T. J. Marks, L. X. Chen and M. A. Ratner, Journal of Physical Chemistry Letters, 2015. 6(1), 77-84. DOI: 10.1021/jz502223t.