scholarly journals Structural Evolution of Ga–Cu Model Catalysts for CO2 Hydrogenation Reactions

Author(s):  
Jian-Qiang Zhong ◽  
Shamil Shaikhutdinov ◽  
Beatriz Roldan Cuenya
Molecules ◽  
2020 ◽  
Vol 26 (1) ◽  
pp. 50
Author(s):  
Xing Liu

Unlike the usual method of COx (x = 1, 2) hydrogenation using H2 directly, H2S and HSiSH (silicon-activated H2S) were selected as alternative hydrogen sources in this study for the COx hydrogenation reactions. Our results suggest that it is kinetically infeasible for hydrogen in the form of H2S to transfer to COx at low temperatures. However, when HSiSH is employed instead, the title reaction can be achieved. For this approach, the activation of CO2 is initiated by its interaction with the HSiSH molecule, a reactive species with both a hydridic Hδ− and protonic Hδ+. These active hydrogens are responsible for the successive C-end and O-end activations of CO2 and hence the final product (HCOOH). This finding represents a good example of an indirect hydrogen source used in CO2 hydrogenation through reactivity tuned by silicon incorporation, and thus the underlying mechanism will be valuable for the design of similar reactions.


2019 ◽  
Vol 141 (34) ◽  
pp. 13497-13505 ◽  
Author(s):  
Athanasia Tsoukalou ◽  
Paula M. Abdala ◽  
Dragos Stoian ◽  
Xing Huang ◽  
Marc-Georg Willinger ◽  
...  

2021 ◽  
Author(s):  
Shyama Charan Mandal ◽  
Biswarup Pathak

In this study, we have considered a Cu nanocube (Cu-NC) based catalyst exposed with (100) facets for CO2 hydrogenation reactions. All the feasible mechanistic pathways for the formations of C1 (HCOOH, CH3OH and CH4) and C2 (C2H4 and C2H5OH) based products have been explored using the density functional theoretical calculations and the most plausible pathways have been identified. The calculated results are compared with the previous reports on the periodic Cu(100) and Cu(111) surfaces, and also on the surface of Cu85 nanocluster and Cu(111) monolayer. The in-depth mechanistic investigation shows that Cu-NC can be very selective towards the C2 based products with a lower limiting potential (calculated) compared to the periodic surfaces. The underlying reasons for such findings have been explained and compared that with the periodic surfaces. We therefore, propose that the Cu-NC based catalysts can be more promising for C2 based products.


Nanoscale ◽  
2019 ◽  
Vol 11 (1) ◽  
pp. 331-338 ◽  
Author(s):  
Sara Fernández ◽  
Lu Gao ◽  
Jan Philipp Hofmann ◽  
Jérôme Carnis ◽  
Stéphane Labat ◽  
...  

In situ evolution of the strain and lattice orientation of single particle model catalysts.


2017 ◽  
Vol 46 (7) ◽  
pp. 1824-1841 ◽  
Author(s):  
José A. Rodriguez ◽  
David C. Grinter ◽  
Zongyuan Liu ◽  
Robert M. Palomino ◽  
Sanjaya D. Senanayake

Model metal/ceria and ceria/metal catalysts have shown to be excellent systems for studying fundamental phenomena linked to the operation of technical catalysts.


Catalysts ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 1213 ◽  
Author(s):  
Ana Belén Dongil ◽  
Qi Zhang ◽  
Laura Pastor-Pérez ◽  
Tomás Ramírez-Reina ◽  
Antonio Guerrero-Ruiz ◽  
...  

Mitigation of anthropogenic CO2 emissions possess a major global challenge for modern societies. Herein, catalytic solutions are meant to play a key role. Among the different catalysts for CO2 conversion, Cu supported molybdenum carbide is receiving increasing attention. Hence, in the present communication, we show the activity, selectivity and stability of fresh-prepared β-Mo2C catalysts and compare the results with those of Cu/Mo2C, Cs/Mo2C and Cu/Cs/Mo2C in CO2 hydrogenation reactions. The results show that all the catalysts were active, and the main reaction product was methanol. Copper, cesium and molybdenum interaction is observed, and cesium promoted the formation of metallic Mo on the fresh catalyst. The incorporation of copper is positive and improves the activity and selectivity to methanol. Additionally, the addition of cesium favored the formation of Mo0 phase, which for the catalysts Cs/Mo2C seemed to be detrimental for the conversion and selectivity. Moreover, the catalysts promoted by copper and/or cesium underwent redox surface transformations during the reaction, these were more obvious for cesium doped catalysts, which diminished their catalytic performance.


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