CO adsorption on a Au/Ni(111) surface alloy—a DFT study

2007 ◽  
Vol 19 (24) ◽  
pp. 246219 ◽  
Author(s):  
Konstantinos Termentzidis ◽  
Jürgen Hafner
Keyword(s):  
Co Adsorption ◽  
Surface Alloy ◽  
Dft Study

CO adsorption on the Ni2Pb/Ni(111) surface alloy: A DFT study

2013 ◽  
Vol 267 ◽  
pp. 4-7 ◽  
Author(s):  
K. Kośmider ◽  
R. Kucharczyk ◽  
L. Jurczyszyn
Keyword(s):  
Co Adsorption ◽  
Surface Alloy ◽  
Dft Study

Adsorption and Co‐adsorption of Chlorine and Water‐Chlorine Complexes on Au(111) Surface: First‐Principle DFT Study

2021 ◽  
Author(s):  
De-Yin Wu ◽  
Yuan-Hui Xiao ◽  
Jia Liu ◽  
Jian-De Lin ◽  
Huan-Huan Yu ◽  
...  
Keyword(s):  
Co Adsorption ◽  
Dft Study ◽  
First Principle

scholarly journals CO adsorption on the GaPd(1̄1̄1̄) surface: a comparative DFT study using different functionals

2016 ◽  
Vol 18 (21) ◽  
pp. 14390-14400 ◽  
Author(s):  
S. Alarcón Villaseca ◽  
S. V. Levchenko ◽  
M. Armbrüster
Keyword(s):  
Electronic Structure ◽  
Intermetallic Compound ◽  
Ab Initio ◽  
Co Adsorption ◽  
Dft Study ◽  
Full Potential ◽  
Structure Approach

CO adsorption on the polar (1̄1̄1̄) surface of the intermetallic compound GaPd is examined withinab initiomethods using an all-electron full-potential electronic structure approach.

Ag on Pt(111): Changes in Electronic and CO Adsorption Properties upon PtAg/Pt(111) Monolayer Surface Alloy Formation

ChemPhysChem ◽  
2015 ◽  
Vol 16 (14) ◽  
pp. 2907-2907 ◽  
Author(s):  
Thomas Diemant ◽  
Konstantin M. Schüttler ◽  
R. Jürgen Behm
Keyword(s):  
Co Adsorption ◽  
Adsorption Properties ◽  
Surface Alloy ◽  
Alloy Formation

CO adsorption on Fe-doped vacancy-defected CNTs – A DFT study

2019 ◽  
Vol 730 ◽  
pp. 316-320 ◽  
Author(s):  
Yang Liu ◽  
Hong Zhang ◽  
Zhiming Zhang ◽  
Xiaotong Jia ◽  
Libao An
Keyword(s):  
Co Adsorption ◽  
Dft Study

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

Clarification of copper species over Cu-SAPO-34 catalyst by DRIFTS and DFT study of CO adsorption

2017 ◽  
Vol 60 (7) ◽  
pp. 912-919 ◽  
Author(s):  
Zheng Qu ◽  
Ying Li ◽  
Shouying Huang ◽  
Pengzhen Chen ◽  
Xinbin Ma
Keyword(s):  
Co Adsorption ◽  
Dft Study ◽  
Copper Species

Ag on Pt(111): Changes in Electronic and CO Adsorption Properties upon PtAg/Pt(111) Monolayer Surface Alloy Formation

ChemPhysChem ◽  
2015 ◽  
Vol 16 (14) ◽  
pp. 2943-2952 ◽  
Author(s):  
Thomas Diemant ◽  
Konstantin M. Schüttler ◽  
R. Jürgen Behm
Keyword(s):  
Co Adsorption ◽  
Adsorption Properties ◽  
Surface Alloy ◽  
Alloy Formation

A DFT study of the CO adsorption and oxidation at ZnO surfaces and its implication for CO detection

2020 ◽  
Vol 31 (6) ◽  
pp. 1674-1679
Author(s):  
Zibin Ni ◽  
Shenyuan Bao ◽  
Xue-Qing Gong
Keyword(s):  
Co Adsorption ◽  
Dft Study ◽  
Co Detection
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