Theoretical ONIOM2/DFT study of Pd/ZSM-5 catalyst: CO and NO adsorption

2014 ◽  
Vol 14 (1-3) ◽  
pp. 121-130
Author(s):  
Anibal Sierraalta ◽  
Rafael Añez ◽  
Dianela Rincón
Keyword(s):  
Dft Study ◽  
No Adsorption

Species formed during NO adsorption and NO + O 2 co-adsorption on ceria: A combined FTIR and DFT study

2018 ◽  
Vol 451 ◽  
pp. 114-124 ◽  
Author(s):  
Mihail Y. Mihaylov ◽  
Elena Z. Ivanova ◽  
Hristiyan A. Aleksandrov ◽  
Petko St. Petkov ◽  
Georgi N. Vayssilov ◽  
...  
Keyword(s):  
Co Adsorption ◽  
Dft Study ◽  
No Adsorption

DFT study of CO and NO adsorption on low index and stepped surfaces of gold

2009 ◽  
Vol 603 (17) ◽  
pp. 2734-2741 ◽  
Author(s):  
A. Hussain ◽  
D. Curulla Ferré ◽  
J. Gracia ◽  
B.E. Nieuwenhuys ◽  
J.W. Niemantsverdriet
Keyword(s):  
Dft Study ◽  
No Adsorption ◽  
Stepped Surfaces

The Initial Stages of NH3 and NO Adsorption On (Mo2O5)2+/HZSM-5 with Two Adjacent Unsaturated fiveFold Mo Sites in SCR Reaction: A Cluster DFT Study

2017 ◽  
Vol 147 (4) ◽  
pp. 1006-1018 ◽  
Author(s):  
Zhifeng Yan ◽  
Sheng Shi ◽  
Zhe Li ◽  
Zhijun Zuo ◽  
Sha Li ◽  
...  
Keyword(s):  
Dft Study ◽  
No Adsorption ◽  
Nh3 And No Adsorption

Application of Hybrid Functionals to the Modeling of NO Adsorption on Cu−SAPO-34 and Co−SAPO-34: A Periodic DFT Study

2009 ◽  
Vol 113 (13) ◽  
pp. 5274-5291 ◽  
Author(s):  
Ellie L. Uzunova ◽  
Florian Göltl ◽  
Georg Kresse ◽  
Jürgen Hafner
Keyword(s):  
Dft Study ◽  
No Adsorption ◽  
Hybrid Functionals ◽  
Periodic Dft

scholarly journals DFT study of NO adsorption on pristine graphene

RSC Advances ◽  
2017 ◽  
Vol 7 (22) ◽  
pp. 13082-13091 ◽  
Author(s):  
Hongwei Gao ◽  
Zhijie Liu
Keyword(s):  
Dft Study ◽  
Pristine Graphene ◽  
No Adsorption ◽  
Graphene Surface ◽  
Adsorption Sites

A total of three adsorption sites on pristine graphene surface.

Comparative DFT study of N2 and no adsorption on vanadium clusters Vn (n = 2-13)

2012 ◽  
Vol 33 (23) ◽  
pp. 1854-1861 ◽  
Author(s):  
Guangfen Wu ◽  
Mingli Yang ◽  
Xingyu Guo ◽  
Jinlan Wang
Keyword(s):  
Dft Study ◽  
No Adsorption

scholarly journals A DFT study of the NO adsorption on Pdn (n=1–4) clusters

2011 ◽  
Vol 341 (1-2) ◽  
pp. 28-34 ◽  
Author(s):  
C. Lacaze-Dufaure ◽  
J. Roques ◽  
C. Mijoule ◽  
E. Sicilia ◽  
N. Russo ◽  
...  
Keyword(s):  
Dft Study ◽  
No Adsorption
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