Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study-Reference-Cited by-同舟云学术

Acetylene adsorption on δ-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study

Published:2017 Issue:2 Volume:19 Page:1571-1579
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jimenez-Orozco Carlos¹²³⁴⁵,Florez Elizabeth⁶⁷⁸⁵⁹,Moreno Andres¹²³⁴⁵,Liu Ping¹⁰¹¹¹²¹³¹⁴,Rodriguez Jose A.¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Química de Recursos Energéticos y Medio Ambiente

2. Instituto de Química

3. Facultad de Ciencias Exactas y Naturales

4. Universidad de Antioquia UdeA; Calle 70 No. 52-21

5. Medellín

6. Departamento de Ciencias Básicas

7. Universidad de Medellín

8. Carrera 87 No 30-65

9. Colombia

10. Chemistry Department

11. Brookhaven National Laboratory

12. Upton

13. New York 11973

14. USA

Abstract

Molybdenum, titanium, and zirconium carbide surfaces are explored theoretically as potential catalysts for selective hydrogenation from acetylene to ethylene.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C6CP07400F

Reference45 articles.

1. B. M. Trost and C.-J.Li, Modern Alkyne Chemistry: Catalytic and Atom-Economic Transformations, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 1st edn, 2015

2. First-principles-based kinetic Monte Carlo simulation of the selective hydrogenation of acetylene over Pd(111)

3. The Influence of Catalyst Restructuring on the Selective Hydrogenation of Acetylene to Ethylene

4. Recent advances in selective acetylene hydrogenation using palladium containing catalysts

5. Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

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