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

Project Details


CO2 is the major greenhouse gas responsible of global warming and ocean acidification.1,2 Its conversion to value‐added chemical products is relevant 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. all economically relevant processes.6
CH3OH is currently produced using a Cu/Zn/Al2O3 industrial catalyst, which has a moderate selectivity ﴾The atomicity of Cu‐Pd can be taken as small atoms cluster since this size exhibits several advantages 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,14 which could also operate at low pressures.13 The use of Cu4 has been reported in several exp. and theor. studies, not only in CH3OH formation but in other systems.15‐18 Indeed, with that atomicity, we recently reported that Cu3Pd has catalytic potential in CO2 conversion.19 Though there are few reports regarding the use of supports like metal oxides, polymers and graphene,20‐22 there is a lack of information related to the use of transition metal carbides ﴾TMCs﴿ as supports of bimetallic CuxPdy ﴾x+y=4﴿ clusters, since TMCs have several advantages as reported previously.23,24 In fact, Cu4 has been supported on TMCs25 with good catalytic performance in CH3OH production,26,27 since the reactivity could be modulated by using a‐WC﴾0001﴿ and b‐Mo2C﴾100﴿ as supports.28‐30 Therefore, our purpose is to evaluate the catalytic potential of CuxPdy/TMCs, as a new alternative for CO2 HYD towards CH3OH.
See refs below.


Main objective
To analyze the effect of supporting CuxPdy cluster on a‐WC﴾0001﴿ and b‐Mo2C﴾100﴿ surfaces for CH3OH production via CO2 HYD
To analyze CuxPdy clusters’ location on a‐WC﴾0001﴿ and b‐Mo2C﴾100﴿ surfaces
To investigate CO2 adsorption on CuxPdy/a‐WC﴾0001﴿ and CuxPdy/b‐Mo2C﴾100﴿
To propose reaction mechanisms to produce CH3OH from CO2 on CuxPdy/a‐WC﴾0001﴿ and CuxPdy/b‐Mo2C﴾100﴿

Expected results

Un artículo ISI/Scopus Q1/Q2 publicado.
Short titleBimetallic cluster
AcronymBimetallic cluster
Effective start/end date15/01/2130/04/23