Tuning transition metal carbide activity by surface metal alloying: a case study on CO2capture and activation-Reference-Cited by-同舟云学术

Tuning transition metal carbide activity by surface metal alloying: a case study on CO2capture and activation

Published:2018 Issue:34 Volume:20 Page:22179-22186
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

López Martí¹²³⁴,Broderick Luke⁵⁶⁷⁸⁹,Carey John J.⁵⁶⁷⁸⁹,Viñes Francesc¹²³⁴^ORCID,Nolan Michael⁵⁶⁷⁸⁹^ORCID,Illas Francesc¹²³⁴^ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Fisica & Institut de Química Teòrica i Computacional (IQTCUB)

2. Universitat de Barcelona

3. Barcelona 08028

4. Spain

5. Tyndall National Institute

6. Lee Maltings

7. University College Cork

8. Cork T12R5CP

9. Ireland

Abstract

The CO₂capture and activation on early transition metal carbides can be fine-tuned by surface doping of similar metals as evidenced by state-of-the-art density functional simulations of the adsorption and desorption rates on suited models.

Funder

Science Foundation Ireland

Ministerio de Economía y Competitividad

Generalitat de Catalunya

Horizon 2020 Framework Programme

FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03648A

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