scholarly journals From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

2009 ◽  
Vol 103 (14) ◽  
Author(s):  
A. Vojvodic ◽  
A. Hellman ◽  
C. Ruberto ◽  
B. I. Lundqvist
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Metal Carbides ◽  
Transition Metal Carbides

scholarly journals Atomistic and electronic structure of metal clusters supported on transition metal carbides: implications for catalysis

2022 ◽  
Author(s):  
Hector Prats ◽  
Michail Stamatakis
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Metal Clusters ◽  
High Catalytic Activity ◽  
Metal Nanoclusters ◽  
Metal Carbides ◽  
Transition Metal Carbides ◽  
Structure Of Metal ◽  
Catalytically Active

Novel research avenues have been explored over the last decade on the use of transition metal carbides (TMCs) as catalytically active supports for metal nanoclusters, which display high catalytic activity...

scholarly journals Bulk and surface properties of metal carbides: implications for catalysis

2018 ◽  
Vol 20 (10) ◽  
pp. 6905-6916 ◽  
Author(s):  
Matthew G. Quesne ◽  
Alberto Roldan ◽  
Nora H. de Leeuw ◽  
C. Richard A. Catlow
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Surface Properties ◽  
Rock Salt ◽  
Metal Carbides ◽  
Transition Metal Carbides ◽  
Formation Energies ◽  
Comprehensive Study

We present a comprehensive study of the bulk and surface properties of transition metal carbides with rock salt structures and discuss their formation energies, electronic structure and potential catalytic activity.

First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li–O2 batteries

2018 ◽  
Vol 20 (48) ◽  
pp. 30231-30238 ◽  
Author(s):  
Yingying Yang ◽  
Yuelin Wang ◽  
Man Yao ◽  
Xudong Wang ◽  
Hao Huang
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
First Principles ◽  
First Principles Calculations ◽  
Metal Carbides ◽  
Early Transition Metal ◽  
Transition Metal Carbides ◽  
First Principles Study ◽  
Early Transition

A series of early transition-metal carbides (TMCs) in the NaCl structure have been constructed to compare the catalytic activity in Li–O2 batteries by first-principles calculations.

DMFCs with Enhanced Catalytic Activity and Durability Using Transition-Metal Carbides as Catalyst Support

2019 ◽  
Vol 33 (1) ◽  
pp. 2027-2034 ◽  
Author(s):  
K.G. Nishanth ◽  
P. Sridhar ◽  
S. Pitchumani ◽  
Ashok Shukla
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Catalyst Support ◽  
Metal Carbides ◽  
Transition Metal Carbides
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