Probing the structure–property relationships of supported copper oxide nanoclusters for methane activation
- Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL 60208, USA
Amorphous metal-oxide nanoclusters are investigated using DFT and machine learning for selective oxidation of methane.
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- AC02-05CH11231; FG02-03ER15457
- OSTI ID:
- 2217626
- Journal Information:
- EES Catalysis, Journal Name: EES Catalysis Journal Issue: 1 Vol. 2; ISSN 2753-801X; ISSN ECEACE
- Publisher:
- Royal Society of Chemistry (RSC)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Similar Records
Computational Screening of Supported Metal Oxide Nanoclusters for Methane Activation: Insights into Homolytic versus Heterolytic C–H Bond Dissociation
Theoretical Insights into Direct Methane to Methanol Conversion over Supported Dicopper Oxo Nanoclusters
Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases
Journal Article
·
2023
· Journal of Physical Chemistry Letters
·
OSTI ID:2480864
Theoretical Insights into Direct Methane to Methanol Conversion over Supported Dicopper Oxo Nanoclusters
Journal Article
·
2018
· Catalysis Today
·
OSTI ID:1432374
+2 more
Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases
Journal Article
·
2018
· Journal of Physical Chemistry. C
·
OSTI ID:1430419
+2 more