scholarly journals Density functional theory study of mercury adsorption on metal surfaces

2008 ◽  
Vol 77 (11) ◽  
Author(s):  
Janice A. Steckel
Keyword(s):  
Density Functional Theory ◽  
Metal Surfaces ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Mercury Adsorption ◽  
Functional Theory

Density Functional Theory Study of Mercury Adsorption on CuS Surface: Effect of Typical Flue Gas Components

2019 ◽  
Vol 33 (2) ◽  
pp. 1540-1546 ◽  
Author(s):  
Hailong Li ◽  
Shihao Feng ◽  
Zequn Yang ◽  
Jianping Yang ◽  
Suojiang Liu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Flue Gas ◽  
Density Functional ◽  
Surface Effect ◽  
Density Functional Theory Study ◽  
Mercury Adsorption ◽  
Functional Theory

Density functional theory study of mercury adsorption and oxidation on CuO(111) surface

2014 ◽  
Vol 258 ◽  
pp. 128-135 ◽  
Author(s):  
Shujuan Sun ◽  
Dongsheng Zhang ◽  
Chunyu Li ◽  
Yanji Wang ◽  
Qiusheng Yang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Mercury Adsorption ◽  
Functional Theory

scholarly journals Vacancy patterning and patterning vacancies: controlled self-assembly of fullerenes on metal surfaces

Nanoscale ◽  
2014 ◽  
Vol 6 (18) ◽  
pp. 10850-10858 ◽  
Author(s):  
Alexander Kaiser ◽  
Francesc Viñes ◽  
Francesc Illas ◽  
Marcel Ritter ◽  
Frank Hagelberg ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Metal Surface ◽  
Self Assembly ◽  
Metal Surfaces ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Anchor Points

A density functional theory study accounting for van der Waals interactions reveals the potential of either using metal surface vacancies as anchor points for the design of 2D patterns of adsorbate molecules or vice versa using adsorbate monolayers to design vacancy patterns.

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