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Title: First-principles theoretical assessment of catalysis by confinement: NO–O 2 reactions within voids of molecular dimensions in siliceous crystalline frameworks

This work provides theoretical underpinnings for the ability of voids of molecular dimensions to enhance chemical reactions by mere confinement.
Authors:
ORCiD logo [1] ; ORCiD logo [2]
  1. Laboratory of Catalysis and Catalytic Processes, Dipartimento di Energia, Politecnico di Milano, 20156 Milano, Italy
  2. Department of Chemical and Biomolecular Engineering, University of California at Berkeley and E.O. Lawrence National Laboratory, Berkeley, USA
Publication Date:
Grant/Contract Number:
AC05-76RL0-1830
Type:
Published Article
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 20 Journal Issue: 23; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1439777

Maestri, Matteo, and Iglesia, Enrique. First-principles theoretical assessment of catalysis by confinement: NO–O 2 reactions within voids of molecular dimensions in siliceous crystalline frameworks. United Kingdom: N. p., Web. doi:10.1039/C8CP01615A.
Maestri, Matteo, & Iglesia, Enrique. First-principles theoretical assessment of catalysis by confinement: NO–O 2 reactions within voids of molecular dimensions in siliceous crystalline frameworks. United Kingdom. doi:10.1039/C8CP01615A.
Maestri, Matteo, and Iglesia, Enrique. 2018. "First-principles theoretical assessment of catalysis by confinement: NO–O 2 reactions within voids of molecular dimensions in siliceous crystalline frameworks". United Kingdom. doi:10.1039/C8CP01615A.
@article{osti_1439777,
title = {First-principles theoretical assessment of catalysis by confinement: NO–O 2 reactions within voids of molecular dimensions in siliceous crystalline frameworks},
author = {Maestri, Matteo and Iglesia, Enrique},
abstractNote = {This work provides theoretical underpinnings for the ability of voids of molecular dimensions to enhance chemical reactions by mere confinement.},
doi = {10.1039/C8CP01615A},
journal = {Physical Chemistry Chemical Physics},
number = 23,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {1}
}

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