Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity

Author:

Liu Xiaoyang1234,An Wei1234ORCID,Wang Yixing1234,Turner C. Heath5678,Resasco Daniel E.91011128

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Shanghai University of Engineering Science

3. Shanghai 201620

4. China

5. Department of Chemical and Biological Engineering

6. University of Alabama

7. Tuscaloosa

8. USA

9. School of Chemical

10. Biological and Materials Engineering and Center for Biomass Refining

11. University of Oklahoma

12. Norman

Abstract

Small means big: DFT-calculated C–O bond length of adsorbed intermediates can serve as a good descriptor for predicting the C–O bond scission reactivity of phenolics over metal catalysts.

Funder

Division of Chemical, Bioengineering, Environmental, and Transport Systems

National Natural Science Foundation of China

Shanghai University of Engineering Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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