Spectroscopy and Computations of Supported Metal Adducts. 1. DFT Study of CO and NO Adsorption and Coadsorption on Cu/SiO2

2005 ◽  
Vol 109 (20) ◽  
pp. 10291-10303 ◽  
Author(s):  
Piotr Pietrzyk
Keyword(s):  
Dft Study ◽  
No Adsorption ◽  
Metal Adducts ◽  
Supported Metal

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

Monolayer MoS2 film supported metal electrocatalysts: a DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (109) ◽  
pp. 107836-107839 ◽  
Author(s):  
Sian Chen ◽  
Haining Wang ◽  
Shanfu Lu ◽  
Yan Xiang
Keyword(s):  
Metal Clusters ◽  
Dft Method ◽  
Dft Study ◽  
Monolayer Mos2 ◽  
Electrocatalytic Performance ◽  
Mos2 Film ◽  
Supported Metal

The structures and electrocatalytic performance of metal clusters (Pd, Pt and Ag) on monolayer MoS2 were investigated using DFT method.

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.

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

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
Sign in / Sign up

Export Citation Format

Share Document