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  • Mark A Ratner
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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

Concepts in the design and engineering of single-molecule electronic devices

Xin, N., Guan, J., Zhou, C., Chen, X., Gu, C., Li, Y., Ratner, M. A., Nitzan, A., Stoddart, J. F. & Guo, X., Mar 1 2019, In : Nature Reviews Physics. 1, 3, p. 211-230 20 p.

Research output: Contribution to journalReview article

43 Scopus citations

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 Scopus citations

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 Scopus citations

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

2 Scopus citations

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 Scopus citations

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

10 Scopus citations

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 Scopus citations

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

2 Scopus citations
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 Scopus citations

Conduction of Metal-Thin Organic Film-Metal Junctions at Low Bias

Berlin, Y. A. & Ratner, M. A., Apr 5 2018, In : Journal of Physical Chemistry C. 122, 13, p. 7557-7563 7 p.

Research output: Contribution to journalReview article

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

Wave Functions, Density Functionals, and Artificial Intelligence for Materials and Energy Research: Future Prospects and Challenges

Mosquera, M. A., Fu, B., Kohlstedt, K. L., Schatz, G. C. & Ratner, M. A., Jan 12 2018, In : ACS Energy Letters. 3, 1, p. 155-162 8 p.

Research output: Contribution to journalReview article

6 Scopus citations
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 Scopus citations

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

Olsen, S. T., Brøndsted Nielsen, M., Hansen, T., Ratner, M. A. & Mikkelsen, K. V., Jun 20 2017, In : ChemPhysChem. 18, 12, 1 p.

Research output: Contribution to journalComment/debate

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

Olsen, S. T., Brøndsted Nielsen, M., Hansen, T., Ratner, M. A. & Mikkelsen, K. V., Jun 20 2017, In : ChemPhysChem. 18, 12, p. 1517-1525 9 p.

Research output: Contribution to journalArticle

1 Scopus citations

A Time-Dependent Density Functional Theory Study of the Impact of Ligand Passivation on the Plasmonic Behavior of Ag Nanoclusters

Ashwell, A. P., Ratner, M. A. & Schatz, G. C., Jan 1 2017, Advances in Quantum Chemistry. Academic Press Inc, p. 117-145 29 p. (Advances in Quantum Chemistry; vol. 75).

Research output: Chapter in Book/Report/Conference proceedingChapter

2 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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

24 Scopus citations

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

7 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

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

16 Scopus citations

Probing Molecular-Transport Properties using the Superconducting Proximity Effect

Katzir, E., Sukenik, N., Kalcheim, Y., Alpern, H., Yochelis, S., Berlin, Y. A., Ratner, M. A., Millo, O. & Paltiel, Y., Jan 1 2017, In : Small Methods. 1, 3, 1600034.

Research output: Contribution to journalReview article

3 Scopus citations

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 Scopus citations

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 Scopus citations

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 Scopus citations

SERS theory: The chemical effect of Rhodamine 6G adsorption on silver surfaces on its Raman spectrum

Madison, L. R., Ratner, M. A. & Schatz, G. C., Dec 12 2017, Recent Developments In Plasmon-Supported Raman Spectroscopy: 45 Years of Enhanced Raman Signals. World Scientific Publishing Co. Pte Ltd, p. 401-414 14 p.

Research output: Chapter in Book/Report/Conference proceedingChapter

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

15 Scopus citations

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 Scopus citations