R. A. Marcus
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View article: Sum rule comparison of narrowband and broadband sum frequency generation spectra and comparison with theory
Sum rule comparison of narrowband and broadband sum frequency generation spectra and comparison with theory Open
Earlier sum frequency generation (SFG) experiments involve one infrared and one visible laser, and a measurement of the intensity of the response, yielding data on the surface sensitive properties of the sample. Recently, both the real and…
View article: F1-ATPase Rotary Mechanism: Interpreting Results of Diverse Experimental Modes With an Elastic Coupling Theory
F1-ATPase Rotary Mechanism: Interpreting Results of Diverse Experimental Modes With an Elastic Coupling Theory Open
In this chapter, we review single-molecule observations of rotary motors, focusing on the general theme that their mechanical motion proceeds in substeps with each substep described by an angle-dependent rate constant. In the molecular mac…
View article: Front Cover: The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism (ChemPhysChem 16/2021)
Front Cover: The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism (ChemPhysChem 16/2021) Open
The Front Cover depicts an electron undergoing backscattering in a disordered solid, a phenomenon commonly described using the Drude-Smith equation. The equation, graphically represented by the damping curve, is shown to emerge as the “cri…
View article: The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism
The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism Open
The front cover artwork is provided by Wei‐Chen Chen and Rudolph A. Marcus. The image shows an electron undergoing backscattering in a disordered solid, a phenomenon commonly described using the Drude‐Smith equation represented by the damp…
View article: The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism
The Drude‐Smith Equation and Related Equations for the Frequency‐Dependent Electrical Conductivity of Materials: Insight from a Memory Function Formalism Open
The Drude‐Smith equation is widely used for treating the frequency‐dependent electrical conductivity of materials in the terahertz region. An attractive feature is its sparsity of adjustable parameters. A significant improvement over Drude…
View article: Replication Data for: Phonon features in terahertz photoconductivity spectra due to data analysis artifact: A case study on organometallic halide perovskites
Replication Data for: Phonon features in terahertz photoconductivity spectra due to data analysis artifact: A case study on organometallic halide perovskites Open
Replication data for this paper published in Appl. Phys. Lett. including raw data, processed data and figures. DOI: 10.1063/1.4978688
View article: Reflections on electron transfer theory
Reflections on electron transfer theory Open
Some of the early history leading to the 1956 The Journal of Chemical Physics article on a theory of electron transfer reactions is described.
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\nIn the development of electron transfer theory in 1956, the simplicity of the final equati…
View article: Sum frequency generation, calculation of absolute intensities, comparison with experiments, and two-field relaxation-based derivation
Sum frequency generation, calculation of absolute intensities, comparison with experiments, and two-field relaxation-based derivation Open
Significance The water surface structures, where a dangling OH bond plays a role in catalysis, can be studied by the sum frequency generation (SFG) experimentally and theoretically. The dangling OH bond region of the SFG is investigated us…
View article: Method to extract multiple states in F <sub>1</sub> -ATPase rotation experiments from jump distributions
Method to extract multiple states in F <sub>1</sub> -ATPase rotation experiments from jump distributions Open
Significance In single-molecule imaging of the rotation by nanoprobes, there are jumps in the angular position. Their distribution is used in a method for detecting hidden states in the transitions during rotation steps. Complement…
View article: Monitoring Electron–Phonon Interactions in Lead Halide Perovskites Using Time-Resolved THz Spectroscopy
Monitoring Electron–Phonon Interactions in Lead Halide Perovskites Using Time-Resolved THz Spectroscopy Open
Lead halide perovskite semiconductors have low-frequency phonon modes within the lead halide sublattice and thus are considered to be soft. The soft lattice is considered to be important in defining their interesting optoelectronic propert…
View article: Low-frequency optical phonon modes and carrier mobility in the halide perovskite CH3NH3PbBr3 using terahertz time-domain spectroscopy
Low-frequency optical phonon modes and carrier mobility in the halide perovskite CH3NH3PbBr3 using terahertz time-domain spectroscopy Open
As a light absorber in photovoltaic applications, hybrid organic-inorganic halide perovskites should have long and balanced diffusion lengths for both the separated electrons and holes before recombination, which necessitates high carrier …
View article: Theory of long binding events in single-molecule–controlled rotation experiments on F <sub>1</sub> -ATPase
Theory of long binding events in single-molecule–controlled rotation experiments on F <sub>1</sub> -ATPase Open
Significance The treatment of nucleotide (ATP and ADP) binding and release in our previous papers is now extended to include a much wider range of rotor angles. It now treats composite events associated with ATP hydrolysis and ADP release …
View article: Phonon features in terahertz photoconductivity spectra due to data analysis artifact: A case study on organometallic halide perovskites
Phonon features in terahertz photoconductivity spectra due to data analysis artifact: A case study on organometallic halide perovskites Open
We propose a simple scenario where the superimposed phonon modes on the photoconductive spectra are experimental artifacts due to the invalid formula used in data analysis. By use of experimental and simulated data of CH3NH3PbI3 perovskite…
View article: What can be learned about the enzyme ATPase from single-molecule studies of its subunit F<sub>1</sub>?
What can be learned about the enzyme ATPase from single-molecule studies of its subunit F<sub>1</sub>? Open
We summarize the different types of single molecule experiments on the F 1 component of F O F 1 -ATP Synthase and what has been learned from them. We also describe results from our recent studies on interpreting the experiments using a che…
View article: Theory of single-molecule controlled rotation experiments, predictions, tests, and comparison with stalling experiments in F <sub>1</sub> -ATPase
Theory of single-molecule controlled rotation experiments, predictions, tests, and comparison with stalling experiments in F <sub>1</sub> -ATPase Open
Significance The investigation of nucleotide binding and release dynamics vs. rotor shaft rotation in the F 1 -ATPase enzyme is necessary to reveal biological function. We elucidate the mechanism of the exponential-like change of binding a…
View article: Correction: Corrigendum: Elucidating the role of disorder and free-carrier recombination kinetics in CH3NH3PbI3 perovskite films
Correction: Corrigendum: Elucidating the role of disorder and free-carrier recombination kinetics in CH3NH3PbI3 perovskite films Open
Nature Communications 6: Article number: 8903 (2015); Published: 30 July 2015; Updated: 10 March 2016 This article contains errors in the units used for carrier mobility. In Fig. 2a–d, the units on the y axis should be ‘cm2V−1s−1’ not ‘V−1…
View article: Phonon Mode Transformation Across the Orthohombic–Tetragonal Phase Transition in a Lead Iodide Perovskite CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>: A Terahertz Time-Domain Spectroscopy Approach
Phonon Mode Transformation Across the Orthohombic–Tetragonal Phase Transition in a Lead Iodide Perovskite CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>: A Terahertz Time-Domain Spectroscopy Approach Open
We study the temperature-dependent phonon modes of the organometallic lead iodide perovskite CH3NH3PbI3 thin film across the terahertz (0.5-3 THz) and temperature (20-300 K) ranges. These modes are related to the vibration of the Pb-I bond…
View article: Theory for rates, equilibrium constants, and Brønsted slopes in F <sub>1</sub> -ATPase single molecule imaging experiments
Theory for rates, equilibrium constants, and Brønsted slopes in F <sub>1</sub> -ATPase single molecule imaging experiments Open
Significance The biological function in the F1-ATPase enzyme can be elucidated by understanding the dynamical interplay of reactions and mechanical rotation in the protein. Recent single molecule imaging and rotor manipulation experiments …