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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

Abstract

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:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1439777
Grant/Contract Number:
AC05-76RL0-1830
Resource Type:
Journal Article: Published Article
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Volume: 20; Journal Issue: 23; Related Information: CHORUS Timestamp: 2018-06-15 10:45:29; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

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., 2018. 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. Mon . "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 = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1039/C8CP01615A

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