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Title: Catalytic resonance theory: parallel reaction pathway control

Abstract

Branched catalytic reaction networks with oscillating chemical pathways perfectly select for reaction products at varying frequency.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, USA, Catalysis Center for Energy Innovation
  2. Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, USA
  3. Catalysis Center for Energy Innovation, University of Delaware, Newark, USA, Department of Chemical Engineering
  4. Catalysis Center for Energy Innovation, University of Delaware, Newark, USA, Department of Chemical and Biomolecular Engineering
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1604103
Grant/Contract Number:  
[SC0001004]
Resource Type:
Published Article
Journal Name:
Chemical Science
Additional Journal Information:
[Journal Name: Chemical Science]; Journal ID: ISSN 2041-6520
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Ardagh, M. Alexander, Shetty, Manish, Kuznetsov, Anatoliy, Zhang, Qi, Christopher, Phillip, Vlachos, Dionisios G., Abdelrahman, Omar A., and Dauenhauer, Paul J. Catalytic resonance theory: parallel reaction pathway control. United Kingdom: N. p., 2020. Web. doi:10.1039/C9SC06140A.
Ardagh, M. Alexander, Shetty, Manish, Kuznetsov, Anatoliy, Zhang, Qi, Christopher, Phillip, Vlachos, Dionisios G., Abdelrahman, Omar A., & Dauenhauer, Paul J. Catalytic resonance theory: parallel reaction pathway control. United Kingdom. doi:10.1039/C9SC06140A.
Ardagh, M. Alexander, Shetty, Manish, Kuznetsov, Anatoliy, Zhang, Qi, Christopher, Phillip, Vlachos, Dionisios G., Abdelrahman, Omar A., and Dauenhauer, Paul J. Wed . "Catalytic resonance theory: parallel reaction pathway control". United Kingdom. doi:10.1039/C9SC06140A.
@article{osti_1604103,
title = {Catalytic resonance theory: parallel reaction pathway control},
author = {Ardagh, M. Alexander and Shetty, Manish and Kuznetsov, Anatoliy and Zhang, Qi and Christopher, Phillip and Vlachos, Dionisios G. and Abdelrahman, Omar A. and Dauenhauer, Paul J.},
abstractNote = {Branched catalytic reaction networks with oscillating chemical pathways perfectly select for reaction products at varying frequency.},
doi = {10.1039/C9SC06140A},
journal = {Chemical Science},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C9SC06140A

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Works referenced in this record:

Hydrogen Oxidation-Driven Hot Electron Flow Detected by Catalytic Nanodiodes
journal, November 2009

  • Hervier, Antoine; Renzas, J. Russell; Park, Jeong Y.
  • Nano Letters, Vol. 9, Issue 11
  • DOI: 10.1021/nl9023275

How strain can break the scaling relations of catalysis
journal, April 2018


Increasing the activity of copper exchanged mordenite in the direct isothermal conversion of methane to methanol by Pt and Pd doping
journal, January 2019

  • Tomkins, P.; Mansouri, A.; L. Sushkevich, V.
  • Chemical Science, Vol. 10, Issue 1
  • DOI: 10.1039/C8SC02795A

Controlling Catalytic Selectivity on Metal Nanoparticles by Direct Photoexcitation of Adsorbate–Metal Bonds
journal, August 2014

  • Kale, Matthew J.; Avanesian, Talin; Xin, Hongliang
  • Nano Letters, Vol. 14, Issue 9
  • DOI: 10.1021/nl502571b

Field Effect Modulation of Outer-Sphere Electrochemistry at Back-Gated, Ultrathin ZnO Electrodes
journal, June 2016

  • Kim, Chang-Hyun; Frisbie, C. Daniel
  • Journal of the American Chemical Society, Vol. 138, Issue 23
  • DOI: 10.1021/jacs.6b02547

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis
journal, August 2015


Electrochemical Promotion of Oxygen Atom Back-Spillover from Yttria-Stabilized Zirconia onto a Porous Platinum Electrode: Detection of SERS Signals
journal, October 1994

  • Basini, L.; Cavalca, C. A.; Haller, G. L.
  • The Journal of Physical Chemistry, Vol. 98, Issue 42
  • DOI: 10.1021/j100093a028

Linear free energy relationships for C1-oxygenate decomposition on transition metal surfaces
journal, January 1991


Preexponential factors in surface reactions
journal, October 1976


Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design
journal, June 2016


Electrochemical promotion of catalytic reactions
journal, May 2010


Preexponential Factors for Elementary Surface Processes
journal, December 1988


Water dispersible surface-functionalized platinum/carbon nanorattles for size-selective catalysis
journal, January 2018

  • Hofer, Corinne J.; Grass, Robert N.; Schneider, Elia M.
  • Chemical Science, Vol. 9, Issue 2
  • DOI: 10.1039/C7SC03785F

Machine learning for heterogeneous catalyst design and discovery
journal, May 2018

  • Goldsmith, Bryan R.; Esterhuizen, Jacques; Liu, Jin-Xun
  • AIChE Journal, Vol. 64, Issue 7
  • DOI: 10.1002/aic.16198

Tunable intrinsic strain in two-dimensional transition metal electrocatalysts
journal, February 2019


Principles of Dynamic Heterogeneous Catalysis: Surface Resonance and Turnover Frequency Response
journal, May 2019

  • Ardagh, M. Alexander; Abdelrahman, Omar A.; Dauenhauer, Paul J.
  • ACS Catalysis, Vol. 9, Issue 8
  • DOI: 10.1021/acscatal.9b01606

Direct conversion of methane to methanol with zeolites: towards understanding the role of extra-framework d-block metal and zeolite framework type
journal, January 2019

  • Raynes, Samuel; Shah, Meera A.; Taylor, Russell A.
  • Dalton Transactions, Vol. 48, Issue 28
  • DOI: 10.1039/C9DT00922A

TPD and Cyclic Voltammetric Investigation of the Origin of Electrochemical Promotion in Catalysis
journal, November 1995

  • Neophytides, S. G.; Vayenas, C. G.
  • The Journal of Physical Chemistry, Vol. 99, Issue 47
  • DOI: 10.1021/j100047a001

Catalytic resonance theory: superVolcanoes, catalytic molecular pumps, and oscillatory steady state
journal, January 2019

  • Ardagh, M. Alexander; Birol, Turan; Zhang, Qi
  • Catalysis Science & Technology, Vol. 9, Issue 18
  • DOI: 10.1039/C9CY01543D

Quantifying the promotion of Cu catalysts by ZnO for methanol synthesis
journal, May 2016


Chemistry of fast electrons
journal, June 2009

  • Maximoff, Sergey N.; Head-Gordon, Martin P.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 28
  • DOI: 10.1073/pnas.0902030106

Strategies to break linear scaling relationships
journal, October 2019


Microkinetic Analysis and Scaling Relations for Catalyst Design
journal, June 2018


Direct Spectroscopic Measurement of Interfacial Electric Fields near an Electrode under Polarizing or Current-Carrying Conditions
journal, May 2017

  • Patrow, Joel G.; Sorenson, Shayne A.; Dawlaty, Jahan M.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 21
  • DOI: 10.1021/acs.jpcc.7b03134

Field Effect Modulation of Heterogeneous Charge Transfer Kinetics at Back-Gated Two-Dimensional MoS 2 Electrodes
journal, November 2017


Catalysis Enabled by Plasma Activation of Strong Chemical Bonds: A Review
journal, April 2019


First principles calculations and experimental insight into methane steam reforming over transition metal catalysts
journal, October 2008


Improving Ni Catalysts Using Electric Fields: A DFT and Experimental Study of the Methane Steam Reforming Reaction
journal, December 2016


Design of efficient bifunctional catalysts for direct conversion of syngas into lower olefins via methanol/dimethyl ether intermediates
journal, January 2018

  • Liu, Xiaoliang; Zhou, Wei; Yang, Yudan
  • Chemical Science, Vol. 9, Issue 20
  • DOI: 10.1039/C8SC01597J

Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies
journal, August 2018


Direct magnetic enhancement of electrocatalytic water oxidation in alkaline media
journal, June 2019

  • Garcés-Pineda, Felipe A.; Blasco-Ahicart, Marta; Nieto-Castro, David
  • Nature Energy, Vol. 4, Issue 6
  • DOI: 10.1038/s41560-019-0404-4

The Multiplet Theory of Catalysis — Energy Factors in Catalysis
journal, May 1964


On the Mechanism of Cs Promotion in Ethylene Epoxidation on Ag
journal, July 2004

  • Linic, Suljo; Barteau, Mark A.
  • Journal of the American Chemical Society, Vol. 126, Issue 26
  • DOI: 10.1021/ja048462q

Work function measurements on catalyst films subject to in situ electrochemical promotion
journal, July 1991


Origin of non-faradaic electrochemical modification of catalytic activity
journal, September 1993

  • Ladas, S.; Kennou, S.; Bebelis, S.
  • The Journal of Physical Chemistry, Vol. 97, Issue 35
  • DOI: 10.1021/j100137a004

Volcano-shaped curves in heterogeneous catalysis
journal, January 1990


Oxidative coupling of methane: An inherent limit to selectivity?
journal, January 1988


Direct Control of Electron Transfer to the Surface-CO Bond on a Pt/TiO2 Catalytic Diode
journal, October 2011

  • Deshlahra, Prashant; Schneider, William F.; Bernstein, Gary H.
  • Journal of the American Chemical Society, Vol. 133, Issue 41, p. 16459-16467
  • DOI: 10.1021/ja2020789

Scaling relations between adsorption energies for computational screening and design of catalysts
journal, January 2014

  • Montemore, Matthew M.; Medlin, J. Will
  • Catal. Sci. Technol., Vol. 4, Issue 11
  • DOI: 10.1039/C4CY00335G

A Theoretical and Computational Analysis of Linear Free Energy Relations for the Estimation of Activation Energies
journal, July 2012

  • Sutton, Jonathan E.; Vlachos, Dionisios G.
  • ACS Catalysis, Vol. 2, Issue 8
  • DOI: 10.1021/cs3003269

Are multiple oxygen species selective in ethylene epoxidation on silver?
journal, January 2018

  • Carbonio, Emilia A.; Rocha, Tulio C. R.; Klyushin, Alexander Yu.
  • Chemical Science, Vol. 9, Issue 4
  • DOI: 10.1039/C7SC04728B

Elucidating the field influence on the energetics of the methane steam reforming reaction: A density functional theory study
journal, October 2016


Promoting heterogeneous catalysis beyond catalyst design
journal, January 2020

  • Hülsey, Max J.; Lim, Chia Wei; Yan, Ning
  • Chemical Science, Vol. 11, Issue 6
  • DOI: 10.1039/C9SC05947D

Methane Activation by Heterogeneous Catalysis
journal, November 2014