Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics-Reference-Cited by-同舟云学术

Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics

Published:2018 Issue:27 Volume:9 Page:5890-5896
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Feng Yingxin¹²³⁴⁵^ORCID,Zhou Linsen⁶⁷⁸⁹,Wan Qiang¹²³⁴⁵,Lin Sen¹²³⁴⁵^ORCID,Guo Hua⁶⁷⁸⁹^ORCID

Affiliation:

1. State Key Laboratory of Photocatalysis on Energy and Environment

2. College of Chemistry

3. Fuzhou University

4. Fuzhou 350002

5. China

6. Department of Chemistry and Chemical Biology

7. University of New Mexico

8. Albuquerque

9. USA

Abstract

The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Fujian Province

Fuzhou University

National Science Foundation

China Scholarship Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/SC/C8SC00776D

Reference43 articles.

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5. Atmospheric pressure studies of selective 1,3-butadiene hydrogenation on well-defined Pd/Al2O3/NiAl(110) model catalysts: Effect of Pd particle size

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