Toward Practical Application Of H2Generation From Ammonia Decomposition Guided by Rational Catalyst Design

2014 ◽  
Vol 56 (2) ◽  
pp. 220-237 ◽  
Author(s):  
Enrique García-Bordejé ◽  
Sabino Armenise ◽  
Laura Roldán
2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Guoxiang Zhu ◽  
Wei Zhu ◽  
Yang Lou ◽  
Jun Ma ◽  
Wenqing Yao ◽  
...  

AbstractMajor challenges encountered when developing manganese-based materials for ozone decomposition are related to the low stability and water inactivation. To solve these problems, a hierarchical structure consisted of graphene encapsulating α-MnO2 nanofiber was developed. The optimized catalyst exhibited a stable ozone conversion efficiency of 80% and excellent stability over 100 h under a relative humidity (RH) of 20%. Even though the RH increased to 50%, the ozone conversion also reached 70%, well beyond the performance of α-MnO2 nanofiber. Here, surface graphite carbon was activated by capturing the electron from inner unsaturated Mn atoms. The excellent stability originated from the moderate local work function, which compromised the reaction barriers in the adsorption of ozone molecule and the desorption of the intermediate oxygen species. The hydrophobic graphene shells hindered the chemisorption of water vapour, consequently enhanced its water resistance. This work offered insights for catalyst design and would promote the practical application of manganese-based catalysts in ozone decomposition.


2019 ◽  
Vol 9 (20) ◽  
pp. 5763-5773 ◽  
Author(s):  
Wei-Qi Yan ◽  
Jun-Bo Zhang ◽  
Ling Xiao ◽  
Yi-An Zhu ◽  
Yue-Qiang Cao ◽  
...  

A descriptor-based microkinetic analysis has been performed to provide a basis for the catalyst screening for DMO hydrogenation to MG.


2019 ◽  
Vol 21 (35) ◽  
pp. 19269-19280 ◽  
Author(s):  
Yalan Wang ◽  
Ling Xiao ◽  
Yanying Qi ◽  
Mehdi Mahmoodinia ◽  
Xiang Feng ◽  
...  

The improved UBI-QEP+BEP are utilized to rapidly estimate surface energetics, which satisfactorily fit the DFT (BEEF-vdW) values. These energetics are then applied in microkinetic modeling to predict catalyst activity and perform catalyst screening.


ChemInform ◽  
2007 ◽  
Vol 38 (34) ◽  
Author(s):  
Erik E. Santiso ◽  
Milen K. Kostov ◽  
Aaron M. George ◽  
Marco Buongiorno Nardelli ◽  
Keith E. Gubbins

ChemInform ◽  
2013 ◽  
Vol 44 (26) ◽  
pp. no-no
Author(s):  
Jason A. Gillespie ◽  
Erik Zuidema ◽  
Piet W. N. M. van Leeuwen ◽  
Paul C. J. Kamer

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