Journal article
Theoretical proposal: a tunable heterogeneous catalyst
Surface science, v 470(1), pp L88-L92
2000
Abstract
First principle calculations predict that the massive surface reconstruction of cubic alumina can be switched on or off by controlling the bulk H content and temperature. In one state the surface contains highly valence unsaturated Al atoms, the source of surface acidity central to catalysis. In the other state, these Al atoms bury themselves below the surface, giving a weaker surface acidity and a softer catalyst. These results evince a surface catalytic activity of alumina that can be tuned by switching between these two modes, opening the way for tunable heterogeneous catalysis.
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Details
- Title
- Theoretical proposal: a tunable heterogeneous catalyst
- Creators
- Karl Sohlberg - Drexel UniversitySokrates T. Pantelides - Vanderbilt UniversityStephen J. Pennycook - Vanderbilt University
- Publication Details
- Surface science, v 470(1), pp L88-L92
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000166727100015
- Scopus ID
- 2-s2.0-0034510781
- Other Identifier
- 991019168241804721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Chemistry, Physical
- Physics, Condensed Matter