Mechanistic insights into the catalytic elimination of tar and the promotional effect of boron on it: first-principles study using toluene as a model compound

Author:

Trinh Quang Thang123,Nguyen Anh Vu4567,Huynh Dang Chinh4567,Pham Thanh Huyen4567,Mushrif Samir H.123

Affiliation:

1. School of Chemical and Biomedical Engineering

2. Nanyang Technological University

3. 637459 Singapore

4. School of Chemical Engineering

5. Hanoi University of Science and Technology

6. Hanoi

7. Vietnam

Abstract

The incorporation of a monolayer subsurface B into the Ni catalyst results in a corrugated Ni top surface and the activation of toluene is significantly promoted on B–Ni.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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