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1970 …2020

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2020

Analytical Approaches to Identify Plasmon-like Excited States in Bare and Ligand-Protected Metal Nanoclusters

Gieseking, R. L. M., Ashwell, A. P., Ratner, M. A. & Schatz, G. C., Feb 6 2020, In : Journal of Physical Chemistry C. 124, 5, p. 3260-3269 10 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization

Jones, L. O., Mosquera, M. A., Ratner, M. A. & Schatz, G. C., Jan 29 2020, In : ACS Applied Materials and Interfaces. 12, 4, p. 4607-4615 9 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

Mosquera, M. A., Jones, L. O., Borca, C. H., Ratner, M. A. & Schatz, G. C., Jul 16 2020, In : The journal of physical chemistry. A. 124, 28, p. 5954-5962 9 p.

Research output: Contribution to journalArticle

Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences

Jones, L. O., Mosquera, M. A., Schatz, G. C. & Ratner, M. A., Feb 19 2020, In : Journal of the American Chemical Society. 142, 7, p. 3281-3295 15 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Orbital Control and Coherent Charge Transport in Transition Metal Platinum(II)-Platinum(II) Lantern Complexes in Molecular Junctions

Jones, L. O., Mosquera, M. A., Ratner, M. A. & Schatz, G. C., Feb 6 2020, In : Journal of Physical Chemistry C. 124, 5, p. 3233-3241 9 p.

Research output: Contribution to journalArticle

Quantum embedding for material chemistry based on domain separation and open subsystems

Mosquera, M. A., Jones, L. O., Ratner, M. A. & Schatz, G. C., Jan 1 2020, (Accepted/In press) In : International Journal of Quantum Chemistry. e26184.

Research output: Contribution to journalArticle

2019

Are Transport Models Able to Predict Charge Carrier Mobilities in Organic Semiconductors?

Movaghar, B., Jones, L. O., Ratner, M. A., Schatz, G. C. & Kohlstedt, K. L., Dec 12 2019, In : Journal of Physical Chemistry C. 123, 49, p. 29499-29512 14 p.

Research output: Contribution to journalArticle

Open Access
2 Citations (Scopus)

Charge Transport and Thermoelectric Properties of Carbon Sulfide Nanobelts in Single-Molecule Sensors

Jones, L. O., Mosquera, M. A., Schatz, G. C. & Ratner, M. A., Sep 10 2019, In : Chemistry of Materials. 31, 17, p. 6506-6518 13 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Domain Separation in Density Functional Theory

Mosquera, M. A., Jones, L. O., Borca, C. H., Ratner, M. A. & Schatz, G. C., Jun 6 2019, In : Journal of Physical Chemistry A. 123, 22, p. 4785-4795 11 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Germanium Fluoride Nanocages as Optically Transparent n-Type Materials and Their Endohedral Metallofullerene Derivatives

Jones, L. O., Mosquera, M. A., Fu, B., Schatz, G. C., Ratner, M. A. & Marks, T. J., Jan 30 2019, In : Journal of the American Chemical Society. 141, 4, p. 1672-1684 13 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts

Jones, L. O., Mosquera, M. A., Schatz, G. C. & Ratner, M. A., Sep 26 2019, In : Journal of Physical Chemistry B. 123, 38, p. 8096-8102 7 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Nanofluidic Manifestations of Structure in Liquids: A Toy Model

Patashinski, A. Z., Ratner, M. A., Orlik, R. & Mitus, A. C., Jun 18 2019, In : Journal of Physical Chemistry C. 123, 27, p. 16787-16795 9 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Photodriven quantum teleportation of an electron spin state in a covalent donor–acceptor–radical system

Rugg, B. K., Krzyaniak, M. D., Phelan, B. T., Ratner, M. A., Young, R. M. & Wasielewski, M. R., Nov 1 2019, In : Nature chemistry. 11, 11, p. 981-986 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Quantum Interference and Substantial Property Tuning in Conjugated Z- ortho-Regio-Resistive Organic (ZORRO) Junctions

Jones, L. O., Mosquera, M. A., Fu, B., Schatz, G. C., Marks, T. J. & Ratner, M. A., Jan 1 2019, In : Nano letters.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Steric Interactions Impact Vibronic and Vibrational Coherences in Perylenediimide Cyclophanes

Schultz, J. D., Coleman, A. F., Mandal, A., Shin, J. Y., Ratner, M. A., Young, R. M. & Wasielewski, M. R., Dec 5 2019, In : Journal of Physical Chemistry Letters. 10, 23, p. 7498-7504 7 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2018

Benchmarking Semiempirical Methods to Compute Electrochemical Formal Potentials

Gieseking, R. L. M., Ratner, M. A. & Schatz, G. C., Aug 23 2018, In : Journal of Physical Chemistry A. 122, 33, p. 6809-6818 10 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Deducing the Adsorption Geometry of Rhodamine 6G from the Surface-Induced Mode Renormalization in Surface-Enhanced Raman Spectroscopy

Van Dyck, C., Fu, B., Van Duyne, R. P., Schatz, G. C. & Ratner, M. A., Jan 11 2018, In : Journal of Physical Chemistry C. 122, 1, p. 465-473 9 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Designing Principles of Molecular Quantum Interference Effect Transistors

Chen, S., Chen, G. & Ratner, M. A., Jun 7 2018, In : Journal of Physical Chemistry Letters. 9, 11, p. 2843-2847 5 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Detecting and Visualizing Reaction Intermediates of Anisotropic Nanoparticle Growth

Chandra, K., Rugg, B. K., Ratner, M. A., Wasielewski, M. R. & Odom, T. W., Mar 7 2018, In : Journal of the American Chemical Society. 140, 9, p. 3219-3222 4 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Development of formalisms based on locally coupled open subsystems for calculations in molecular electronic structure and dynamics

Mosquera, M. A., Jones, L. O., Ratner, M. A. & Schatz, G. C., Dec 5 2018, In : Physical Review A. 98, 6, 062505.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Introduction to Organic Semiconductors Using Accessible Undergraduate Chemistry Concepts

Kohlstedt, K. L., Jackson, N. E., Savoie, B. A. & Ratner, M. A., Sep 11 2018, In : Journal of Chemical Education. 95, 9, p. 1500-1511 12 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Measuring Dipole Inversion in Self-Assembled Nano-Dielectric Molecular Layers

Zeng, L., Turrisi, R., Fu, B., Emery, J. D., Walker, A. R., Ratner, M. A., Hersam, M. C., Facchetti, A. F., Marks, T. J. & Bedzyk, M. J., Feb 21 2018, In : ACS Applied Materials and Interfaces. 10, 7, p. 6484-6490 7 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor

Fu, B., Mosquera, M. A., Schatz, G. C., Ratner, M. A. & Hsu, L. Y., Aug 8 2018, In : Nano letters. 18, 8, p. 5015-5023 9 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Photoinduced Plasmon-Driven Chemistry in trans-1,2-Bis(4-pyridyl)ethylene Gold Nanosphere Oligomers

Sprague-Klein, E. A., Negru, B., Madison, L. R., Coste, S. C., Rugg, B. K., Felts, A. M., McAnally, M. O., Banik, M., Apkarian, V. A., Wasielewski, M. R., Ratner, M. A., Seideman, T., Schatz, G. C. & Van Duyne, R. P., Aug 22 2018, In : Journal of the American Chemical Society. 140, 33, p. 10583-10592 10 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)
2017

A Silicon Ratchet to Produce Power from Below-Bandgap Photons

Lau, B., Kedem, O., Kodaimati, M., Ratner, M. A. & Weiss, E. A., Nov 22 2017, In : Advanced Energy Materials. 7, 22, 1701000.

Research output: Contribution to journalArticle

1 Citation (Scopus)

A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime

Olsen, S. T., BrøndstedNielsen, M., Hansen, T., Ratner, M. A. & Mikkelsen, K. V., 2017, (Accepted/In press) In : ChemPhysChem.

Research output: Contribution to journalArticle

1 Citation (Scopus)
2 Citations (Scopus)

Can Molecular Quantum Interference Effect Transistors Survive Vibration?

Chen, S., Zhou, W., Zhang, Q., Kwok, Y., Chen, G. & Ratner, M. A., Oct 19 2017, In : Journal of Physical Chemistry Letters. 8, 20, p. 5166-5170 5 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Chain Length Dependence of the Dielectric Constant and Polarizability in Conjugated Organic Thin Films

Van Dyck, C., Marks, T. J. & Ratner, M. A., Jun 27 2017, In : ACS Nano. 11, 6, p. 5970-5981 12 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)

Effect of the reflectional symmetry on the coherent hole transport across DNA hairpins

Zarea, M., Berlin, Y. & Ratner, M. A., Mar 21 2017, In : Journal of Chemical Physics. 146, 11, 114105.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Enhanced Fill Factor through Chalcogen Side-Chain Manipulation in Small-Molecule Photovoltaics

Aldrich, T. J., Leonardi, M. J., Dudnik, A. S., Eastham, N. D., Harutyunyan, B., Fauvell, T. J., Manley, E. F., Zhou, N., Butler, M. R., Harschneck, T., Ratner, M. A., Chen, L. X., Bedzyk, M. J., Chang, R. P. H., Melkonyan, F. S., Facchetti, A. & Marks, T. J., Oct 13 2017, In : ACS Energy Letters. 2, 10, p. 2415-2421 7 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics

Eastham, N. D., Dudnik, A. S., Harutyunyan, B., Aldrich, T. J., Leonardi, M. J., Manley, E. F., Butler, M. R., Harschneck, T., Ratner, M. A., Chen, L. X., Bedzyk, M. J., Melkonyan, F. S., Facchetti, A., Chang, R. P. H. & Marks, T. J., Jul 14 2017, In : ACS Energy Letters. 2, 7, p. 1690-1697 8 p.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers

Mosquera, M. A., Jackson, N. E., Fauvell, T. J., Kelley, M. S., Chen, L. X., Schatz, G. C. & Ratner, M. A., Mar 15 2017, In : Journal of the American Chemical Society. 139, 10, p. 3728-3735 8 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Gate-controlled conductance switching in DNA

Xiang, L., Palma, J. L., Li, Y., Mujica, V., Ratner, M. A. & Tao, N., Feb 20 2017, In : Nature communications. 8, 14471.

Research output: Contribution to journalArticle

50 Citations (Scopus)

Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen

Ashwell, A. P., Lin, W., Hofman, M. S., Yang, Y., Ratner, M. A., Koel, B. E. & Schatz, G. C., Dec 6 2017, In : Journal of the American Chemical Society. 139, 48, p. 17582-17589 8 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)

Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains

Gagorik, A. G., Savoie, B., Jackson, N., Agrawal, A., Choudhary, A., Ratner, M. A., Schatz, G. C. & Kohlstedt, K. L., Jan 19 2017, In : Journal of Physical Chemistry Letters. 8, 2, p. 415-421 7 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Light-responsive organic flashing electron ratchet

Kedem, O., Lau, B., Ratner, M. A. & Weiss, E. A., Aug 15 2017, In : Proceedings of the National Academy of Sciences of the United States of America. 114, 33, p. 8698-8703 6 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Molecular Junctions: Control of the Energy Gap Achieved by a Pinning Effect

Van Dyck, C. & Ratner, M. A., Feb 9 2017, In : Journal of Physical Chemistry C. 121, 5, p. 3013-3024 12 p.

Research output: Contribution to journalArticle

22 Citations (Scopus)

Probing Intermolecular Vibrational Symmetry Breaking in Self-Assembled Monolayers with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy

Chiang, N., Jiang, N., Madison, L. R., Pozzi, E. A., Wasielewski, M. R., Ratner, M. A., Hersam, M. C., Seideman, T., Schatz, G. C. & Van Duyne, R. P., Dec 27 2017, In : Journal of the American Chemical Society. 139, 51, p. 18664-18669 6 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Redfield Treatment of Multipathway Electron Transfer in Artificial Photosynthetic Systems

Powell, D. D., Wasielewski, M. R. & Ratner, M. A., Jul 27 2017, In : Journal of Physical Chemistry B. 121, 29, p. 7190-7203 14 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Resonant energy transfer under the influence of the evanescent field from the metal

Poudel, A., Chen, X. & Ratner, M. A., Jun 28 2017, In : Journal of Chemical Physics. 146, 24, 244115.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Semiempirical modeling of electrochemical charge transfer

Gieseking, R. L., Ratner, M. A. & Schatz, G. C., Jan 1 2017, In : Faraday Discussions. 199, p. 547-563 17 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Spin-Selective Photoreduction of a Stable Radical within a Covalent Donor-Acceptor-Radical Triad

Rugg, B. K., Phelan, B. T., Horwitz, N. E., Young, R. M., Krzyaniak, M. D., Ratner, M. A. & Wasielewski, M. R., Nov 8 2017, In : Journal of the American Chemical Society. 139, 44, p. 15660-15663 4 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Stepwise "dark Photoswitching" of Photochromic Dimers in a Junction

Olsen, S. T., Hansen, T., Nielsen, M. B., Ratner, M. A. & Mikkelsen, K. V., Feb 16 2017, In : Journal of Physical Chemistry C. 121, 6, p. 3163-3170 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Systematic evaluation of structure-property relationships in heteroacene-diketopyrrolopyrrole molecular donors for organic solar cells

Loser, S., Lou, S. J., Savoie, B. M., Bruns, C. J., Timalsina, A., Leonardi, M. J., Smith, J., Harschneck, T., Turrisi, R., Zhou, N., Stern, C. L., Sarjeant, A. A., Facchetti, A., Chang, R. P. H., Stupp, S. I., Ratner, M. A., Chen, L. X. & Marks, T. J., Jan 1 2017, In : Journal of Materials Chemistry A. 5, 19, p. 9217-9232 16 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Theoretical modeling of voltage effects and the chemical mechanism in surface-enhanced Raman scattering

Gieseking, R. L., Ratner, M. A. & Schatz, G. C., Jan 1 2017, In : Faraday Discussions. 205, p. 149-171 23 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)
2016

A n-vector model for charge transport in molecular semiconductors

Jackson, N. E., Kohlstedt, K. L., Chen, L. X. & Ratner, M. A., Nov 28 2016, In : Journal of Chemical Physics. 145, 20, 204102.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Bithiophenesulfonamide Building Block for π-Conjugated Donor-Acceptor Semiconductors

Melkonyan, F. S., Zhao, W., Drees, M., Eastham, N. D., Leonardi, M. J., Butler, M. R., Chen, Z., Yu, X., Chang, R. P. H., Ratner, M. A., Facchetti, A. F. & Marks, T. J., Jun 8 2016, In : Journal of the American Chemical Society. 138, 22, p. 6944-6947 4 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)

Boron subphthalocyanine based molecular triad systems for the capture of solar energy

Storm, F. E., Olsen, S. T., Hansen, T., De Vico, L., Jackson, N. E., Ratner, M. A. & Mikkelsen, K. V., Oct 6 2016, In : Journal of Physical Chemistry A. 120, 39, p. 7694-7703 10 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)