CuxPdy (x + y = 4) bimetallic cluster supported on transition metal carbide surfaces as catalyst for methanol production via CO2 hydrogenation

Project Details

Description

CO2 is the major greenhouse gas responsible for global warming and ocean acidification.1,2 Its conversion to value‐added chemical products is receiving attention in recent years,3 where CO2 catalytic hydrogenation (HYD) to CH3OH is of growing interest,4,5 since CH3OH can be used as a chemical feedstock, solvent, and alternative fuel, i.e. economical relevant processes.6
CH3OH is currently produced using a Cu/Zn/Al2O3 industrial catalyst, which has a moderate selectivity (<60%) and high pressure ﴾60bars﴿ and temperature (250 °C) are required.7,8 A strategy to overcome these issues7,8 is to study the composition effect, particularly the role of a second metal on the performance of copper‐based catalysts9 to avoid sintering of the copper particles and increasing the activity of active sites for CO2 HYD.10 The bimetallic Cu‐Pd system has been reported as a potential catalyst for CH3OH production.11 The atomicity of Cu‐Pd can be taken as small cluster atoms since this size exhibits several advantages with respect to bigger systems.12‐ 14 The cluster size of four copper atoms (Cu4) supported on Al2O3 has been established as the best system for CH3OH production at low pressures.13,14 The use of Cu4 has been reported in several experimental and theoretical studies, not only in CH3OH formation but in other processes.15‐18 Indeed, with that atomicity, we recently reported that Cu3Pd has catalytic potential in CO2 conversion.19 There are few reports regarding the use of supports like metal oxides, polymers and graphene,20‐22 but there is a lack of information for the use of transition metal carbides (TMC) as supports of bimetallic CuxPdy (x+y=4) clusters, although TMC have several advantages as reported previously.23,24 In fact, Cu4 on TMC25 exhibits good catalytic performance in CH3OH production,26,27 since the reactivity can be modulated by using a α‐WC(0001) surface as support.28‐30 Therefore, our purpose is to evaluate the catalytic potential of CuxPdy/TMC, as a new alternative for CO2 HYD towards CH3OH.

Objective

Main objective
Analyze the effect of supporting CuxPdy cluster on α‐WC(0001) surface for CH3OH production via CO2 hydrogenation.
Specific
- Establish importance of metal‐metal and metal‐carbide interactions.
- Investigate CO2 adsorption on CuxPdy/α‐WC(0001) surfaces with and without H‐adatoms over the surface.
- Identify reaction mechanisms to produce CH3OH from CO2 on CuxPdy/α‐WC(0001).

Expected results

1. Un artículo publicado Q1/Q2
2. Participación en congreso
Short titleCuxPdy bimetallic cluster
AcronymCuxPdy bimetallic cluster
StatusActive
Effective start/end date15/01/2430/06/25