A First-principles study of water adsorption at step edge on rutile TiO<sub>2</sub>(110) surface

2012 ◽  
Vol 42 (6) ◽  
pp. 806-814
Author(s):  
ZhongQuan Ma ◽  
Feng HONG ◽  
YuHeng NI ◽  
Yonghua LI ◽  
WenJuan XU ◽  
...  
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
Step Edge ◽  
First Principles Study

Water adsorption at metal surfaces: A first-principles study of thep(3×3)R30°H2Obilayer on Ru(0001)

2005 ◽  
Vol 71 (15) ◽  
Author(s):  
Giuliana Materzanini ◽  
Gian Franco Tantardini ◽  
Philip J. D. Lindan ◽  
Peter Saalfrank
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
Water Adsorption ◽  
First Principles Study

First-principles study of water adsorption and dissociation on the UO2 (1 1 1), (1 1 0) and (1 0 0) surfaces

2014 ◽  
Vol 454 (1-3) ◽  
pp. 446-454 ◽  
Author(s):  
Tao Bo ◽  
Jian-Hui Lan ◽  
Yao-Lin Zhao ◽  
Yu-Juan Zhang ◽  
Chao-Hui He ◽  
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Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
First Principles Study ◽  
Adsorption And Dissociation

scholarly journals First-principles study of water adsorption on α-SiO2 [110] surface

AIP Advances ◽  
2016 ◽  
Vol 6 (8) ◽  
pp. 085001 ◽  
Author(s):  
Venu Mankad ◽  
Prafulla K. Jha
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
First Principles Study

Multilayer water adsorption on rutile TiO2(110): A first-principles study

2003 ◽  
Vol 118 (10) ◽  
pp. 4620-4630 ◽  
Author(s):  
Changjun Zhang ◽  
Philip J. D. Lindan
Keyword(s):  
First Principles ◽  
Water Adsorption ◽  
Rutile Tio2 ◽  
First Principles Study

First-Principles Study of the Water Adsorption on Anatase(101) as a Function of the Coverage

2018 ◽  
Vol 122 (36) ◽  
pp. 20736-20744 ◽  
Author(s):  
Ruth Martinez-Casado ◽  
Giuseppe Mallia ◽  
Nicholas M. Harrison ◽  
Rubén Pérez
Keyword(s):  
First Principles ◽  
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First Principles Study

First principles study of methane decomposition on B5 step-edge type site of Ru surface

2017 ◽  
Vol 29 (18) ◽  
pp. 184001 ◽  
Author(s):  
Ryan Lacdao Arevalo ◽  
Susan Meñez Aspera ◽  
Mary Clare Sison Escaño ◽  
Hiroshi Nakanishi ◽  
Hideaki Kasai
Keyword(s):  
First Principles ◽  
Methane Decomposition ◽  
Step Edge ◽  
Edge Type ◽  
First Principles Study ◽  
Type Site
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