Catalytic performance of Pdn (n = 1, 2, 3, 4 and 6) clusters supported on TiO2-V for the formation of dimethyl oxalate via the CO catalytic coupling reaction: a theoretical study-Reference-Cited by-同舟云学术

Catalytic performance of Pdn (n = 1, 2, 3, 4 and 6) clusters supported on TiO2-V for the formation of dimethyl oxalate via the CO catalytic coupling reaction: a theoretical study

Published:2020 Issue:8 Volume:22 Page:4549-4560
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ling Lixia¹²³⁴⁵,Cao Yueting¹²³⁴,Han Min¹²³⁴,Liu Ping⁵⁶⁷⁸⁴,Zhang Riguang⁹²³⁴,Wang Baojun⁹²³⁴^ORCID

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Taiyuan University of Technology

3. Taiyuan 030024

4. P. R. China

5. State Key Laboratory of Coal Conversion

6. Institute of Coal Chemistry

7. Chinese Academy of Sciences

8. Taiyuan 030001

9. Key Laboratory of Coal Science and Technology of Ministry of Education and Shanxi Province

Abstract

The formation of dimethyl oxalate (DMO) via CO catalytic coupling on a series of catalysts including Pd_n (n = 1, 2, 3, 4 and 6) clusters loaded on TiO_2-V has been explored by density functional theory (DFT) calculation.

Funder

National Natural Science Foundation of China

Shanxi Scholarship Council of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06773F

Reference88 articles.

1. Noble metal catalysis. III. Preparation of dialkyl oxalates by oxidative carbonylation

2. Synthesis of Dimethyl Oxalate from CO and CH3ONO on Carbon Nanofiber Supported Palladium Catalysts