Mark A Ratner

  • 62491 Citations
1970 …2022
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Research Output 1970 2019

2019
1 Citation (Scopus)

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
Semiconducting organic compounds
Carrier mobility
organic semiconductors
carrier mobility
Charge carriers
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

Nanobelts
Charge transfer
Molecules
Carbon
Sensors

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., 2019, In : Nature Reviews Physics. 1, p. 211-230 20 p.

Research output: Contribution to journalArticle

Molecules
Electrodes
Fermi level
Charge transfer
Electronic equipment
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

Density functional theory
Wave functions
density functional theory
functionals
Molecules
2 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

Germanium
Fullerenes
Fluorides
Isomers
Electrons

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

Nanobelts
conduction
Charge transfer
covalent bonds
Seebeck effect

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

Nanofluidics
Liquids
liquids
drag
Drag
4 Citations (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

Electrons
Quantum entanglement
Information science
Photoexcitation
Tomography

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

Tuning
tuning
interference
Thiophenes
Thiophene

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

Dimers
dimers
Van der Waals forces
interactions
Chromophores
2018
1 Citation (Scopus)

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

Benchmarking
Molecules
molecules
energy technology
Hamiltonians

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

metal films
Metals
conduction
metals
Electric conductance
6 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

rhodamine
Raman spectroscopy
Raman scattering
Raman spectra
Adsorption
5 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

Transistors
transistors
Perylene
interference
Resistors
5 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

Reaction intermediates
Nanoparticles
Growth
Optical properties
1 Citation (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

molecular electronics
electronic structure
ground state
wave functions
fragments

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

Semiconducting organic compounds
chemistry
electronics
alternative energy
graph theory
2 Citations (Scopus)
Electronic structure
Hamiltonians
Wave functions
formalism
electronic structure
1 Citation (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

Acids
Electrons
Thin film transistors
X rays
Electric dipole moments
4 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

Coulomb blockade
Electron energy levels
atomic energy levels
Transistors
transistors
18 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

Nanospheres
Raman Spectrum Analysis
Oligomers
Gold
Anions
5 Citations (Scopus)

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

Wave functions
Artificial intelligence
Polarons
Plasmons
Excited states
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

Silicon
Energy gap
Photons
Scattering
Electrons
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., 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

Coulomb blockade
Diamond
requirements
Molecules
Stereoisomerism

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

Coulomb blockade
chemistry
Denmark
requirements
solar energy
1 Citation (Scopus)

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

Nanoclusters
nanoclusters
Passivation
passivity
Density functional theory
9 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

Transistors
transistors
interference
vibration
Benzene
15 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

Chain length
Permittivity
permittivity
Thin films
Density functional theory
3 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

Guanine
Adenine
Binding energy
Band structure
Electron energy levels
8 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

Chalcogens
Molecules
Atoms
Selenium
Sulfur
21 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

Surface mount technology
Light absorption
Conversion efficiency
Molecules
Fluorination
3 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

Conjugated polymers
Excitons
Absorption spectra
Polymers
Oligomers
44 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

deoxyribonucleic acid
Oxidation-Reduction
DNA
Switches
Redox reactions
16 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

Hydrogenation
Carbon Monoxide
Methanol
Hydrogen
Methane
8 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

Butyric acid
Butyric Acid
butyric acid
esters
Esters
14 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

Biological Transport
Electrons
Electromagnetic Radiation
Light
Equipment and Supplies
22 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

Energy gap
Molecules
molecules
Molecular electronics
Electrodes
14 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

Raman Spectrum Analysis
Ultrahigh vacuum
Self assembled monolayers
Vacuum
Raman spectroscopy
2 Citations (Scopus)

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

Transport properties
Molecules
Molecular electronics
Molecular orbitals
Electrons
2 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

electron transfer
Electrons
Density functional theory
energy
density functional theory
1 Citation (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

Evanescent fields
Excitation energy
Energy transfer
Metals
energy transfer
8 Citations (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

Charge transfer
pyridines
charge transfer
Molecules
Ground state

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

Silver
Raman scattering
Adsorption
rhodamine 6G
11 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

Electrons
Automatic Data Processing
Perylene
Molecules
Photoexcitation
2 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

Dimers
dimers
Photoisomerization
Induced currents
Isomers
17 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

Hole mobility
Molecules
Crystal structure
Crystalline materials
Electrons
14 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

Charge transfer
Raman scattering
Raman spectra
augmentation
Electric potential
202 Citations (Scopus)

Using coherence to enhance function in chemical and biophysical systems

Scholes, G. D., Fleming, G. R., Chen, L. X., Aspuru-Guzik, A., Buchleitner, A., Coker, D. F., Engel, G. S., Van Grondelle, R., Ishizaki, A., Jonas, D. M., Lundeen, J. S., McCusker, J. K., Mukamel, S., Ogilvie, J. P., Olaya-Castro, A., Ratner, M. A., Spano, F. C., Whaley, K. B. & Zhu, X., Mar 29 2017, In : Nature. 543, 7647, p. 647-656 10 p.

Research output: Contribution to journalReview article

Noise
Surveys and Questionnaires
2016
5 Citations (Scopus)

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

Charge transfer
Semiconductor materials
topology
Topology
disorders
37 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

Molecular Computers
Semiconductors
Photovoltaic cells
Molecular orbitals
Field effect transistors