---
_id: '14831'
abstract:
- lang: eng
  text: Catalysis, the acceleration of product formation by a substance that is left
    unchanged, typically results from multiple elementary processes, including diffusion
    of the reactants toward the catalyst, chemical steps, and release of the products.
    While efforts to design catalysts are often focused on accelerating the chemical
    reaction on the catalyst, catalysis is a global property of the catalytic cycle
    that involves all processes. These are controlled by both intrinsic parameters
    such as the composition and shape of the catalyst and extrinsic parameters such
    as the concentration of the chemical species at play. We examine here the conditions
    that catalysis imposes on the different steps of a reaction cycle and the respective
    role of intrinsic and extrinsic parameters of the system on the emergence of catalysis
    by using an approach based on first-passage times. We illustrate this approach
    for various decompositions of a catalytic cycle into elementary steps, including
    non-Markovian decompositions, which are useful when the presence and nature of
    intermediate states are a priori unknown. Our examples cover different types of
    reactions and clarify the constraints on elementary steps and the impact of species
    concentrations on catalysis.
acknowledgement: We acknowledge funding from ANR-22-CE06-0037-02. This work has received
  funding from the European Unions Horizon 2020 research and innovation program under
  the Marie Sklodowska-Curie grant agreement No. 754387.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Yann
  full_name: Sakref, Yann
  last_name: Sakref
- first_name: Maitane
  full_name: Muñoz Basagoiti, Maitane
  id: 1a8a7950-82cd-11ed-bd4f-9624c913a607
  last_name: Muñoz Basagoiti
  orcid: 0000-0003-1483-1457
- first_name: Zorana
  full_name: Zeravcic, Zorana
  last_name: Zeravcic
- first_name: Olivier
  full_name: Rivoire, Olivier
  last_name: Rivoire
citation:
  ama: Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. On kinetic constraints
    that catalysis imposes on elementary processes. <i>The Journal of Physical Chemistry
    B</i>. 2023;127(51):10950-10959. doi:<a href="https://doi.org/10.1021/acs.jpcb.3c04627">10.1021/acs.jpcb.3c04627</a>
  apa: Sakref, Y., Muñoz Basagoiti, M., Zeravcic, Z., &#38; Rivoire, O. (2023). On
    kinetic constraints that catalysis imposes on elementary processes. <i>The Journal
    of Physical Chemistry B</i>. American Chemical Society. <a href="https://doi.org/10.1021/acs.jpcb.3c04627">https://doi.org/10.1021/acs.jpcb.3c04627</a>
  chicago: Sakref, Yann, Maitane Muñoz Basagoiti, Zorana Zeravcic, and Olivier Rivoire.
    “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” <i>The
    Journal of Physical Chemistry B</i>. American Chemical Society, 2023. <a href="https://doi.org/10.1021/acs.jpcb.3c04627">https://doi.org/10.1021/acs.jpcb.3c04627</a>.
  ieee: Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, and O. Rivoire, “On kinetic constraints
    that catalysis imposes on elementary processes,” <i>The Journal of Physical Chemistry
    B</i>, vol. 127, no. 51. American Chemical Society, pp. 10950–10959, 2023.
  ista: Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. 2023. On kinetic constraints
    that catalysis imposes on elementary processes. The Journal of Physical Chemistry
    B. 127(51), 10950–10959.
  mla: Sakref, Yann, et al. “On Kinetic Constraints That Catalysis Imposes on Elementary
    Processes.” <i>The Journal of Physical Chemistry B</i>, vol. 127, no. 51, American
    Chemical Society, 2023, pp. 10950–59, doi:<a href="https://doi.org/10.1021/acs.jpcb.3c04627">10.1021/acs.jpcb.3c04627</a>.
  short: Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical
    Chemistry B 127 (2023) 10950–10959.
date_created: 2024-01-18T07:47:11Z
date_published: 2023-12-13T00:00:00Z
date_updated: 2024-01-23T07:58:27Z
day: '13'
department:
- _id: AnSa
doi: 10.1021/acs.jpcb.3c04627
external_id:
  arxiv:
  - '2312.15940'
  isi:
  - '001134068000001'
intvolume: '       127'
isi: 1
issue: '51'
keyword:
- Materials Chemistry
- Surfaces
- Coatings and Films
- Physical and Theoretical Chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2312.15940
month: '12'
oa: 1
oa_version: Preprint
page: 10950-10959
publication: The Journal of Physical Chemistry B
publication_identifier:
  eissn:
  - 1520-5207
  issn:
  - 1520-6106
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: On kinetic constraints that catalysis imposes on elementary processes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 127
year: '2023'
...