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Structure-sensitivity of ethane hydrogenolysis over molybdenum carbides: A density functional theory study.
- Source :
-
Applied Surface Science . Jul2013, Vol. 276, p369-376. 8p. - Publication Year :
- 2013
-
Abstract
- Highlights: [•] DFT calculation is used to investigate the ethane hydrogenolysis on Mo2C [•] The reaction mechanism is the same on both fcc and hcp Mo2C. [•] The rate-controlling step is C2H5 →CH2 +CH3. [•] Hcp-Mo2C (101) is more active than Fcc-Mo2C (100). [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 01694332
- Volume :
- 276
- Database :
- Academic Search Index
- Journal :
- Applied Surface Science
- Publication Type :
- Academic Journal
- Accession number :
- 89247444
- Full Text :
- https://doi.org/10.1016/j.apsusc.2013.03.099