Data for Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency

Dauenhauer, Paul
Canavan, Jesse R
Hopkins, Justin A
Foley, Brandon R
Abdelrahman, Omar A
2024-10-14
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https://doi.org/10.13020/egsm-k060
 https://hdl.handle.net/11299/266400
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2024-07-01
2024-10-10

Date completed

2024-10-10

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Title

Data for Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency

Published Date

2024-10-14

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Author Contact

Dauenhauer, Paul
hauer@umn.edu

Type

Dataset
Simulation Data

Abstract

The data were collected via simulation in Matlab r2019 and used in the data Figures 1-4 of the manuscript, "Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency"

Description

The data set is the tabulated data associated with the paper, "Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency." This data set includes the simulation output data of a programmable catalyst reacting generic molecules A(g) to B(g) through surface species A* and B* on a dynamic catalyst surface undergoing oscillations in binding energy at varying frequency and amplitude. The data are organized by each figure in the paper, which is a separate programmable catalytic system. Each data set includes simulation output of time-averaged turnover frequency as a function of applied catalyst oscillation frequency and amplitude; additional data is then interpreted from the simulation results including the catalytic effective rate and the turnover efficiency.

Referenced by

Dauenhauer, Paul; Canavan, Jesse R; Hopkins, Justin A; Foley, Brandon R; Abdelrahman, Omar A. (2024). Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency. UNDER REVIEW

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Attribution-NonCommercial-NoDerivatives 4.0 International
 http://creativecommons.org/licenses/by-nc-nd/4.0/

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Data Repository for U of M (DRUM)

Funding information

This work was supported as part of the Center for Programmable Energy Catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences at the University of Minnesota under award #DE-SC0023464. This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

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Suggested citation

Dauenhauer, Paul; Canavan, Jesse R; Hopkins, Justin A; Foley, Brandon R; Abdelrahman, Omar A. (2024). Data for Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/egsm-k060.

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Readme_Dauenhauer_CRT_Eff_Rates.txt
Description of data
(5.04 KB)

Figure_01_dataset.xlsx
Figure 1 data
(134.99 KB)

Figure_02_dataset.xlsx
Figure 2 data
(207.28 KB)

Figure_03_dataset.xlsx
Figure 3 data
(168.54 KB)

Figure_04_dataset.xlsx
Figure 4 data
(165.85 KB)

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