scholarly journals Shape Control in Gold Nanoparticles by N-Containing Ligands: Insights from Density Functional Theory and Wulff Constructions

2018 ◽  
Vol 61 (5-6) ◽  
pp. 412-418 ◽  
Author(s):  
M. Domingo ◽  
M. Shahrokhi ◽  
I. N. Remediakis ◽  
N. Lopez
Keyword(s):  
Density Functional Theory ◽  
Gold Nanoparticles ◽  
Shape Control ◽  
Density Functional ◽  
Functional Theory

scholarly journals The influence of support materials on the structural and electronic properties of gold nanoparticles – a DFT study

2019 ◽  
Vol 21 (35) ◽  
pp. 19011-19025 ◽  
Author(s):  
Julien Engel ◽  
Samantha Francis ◽  
Alberto Roldan
Keyword(s):  
Density Functional Theory ◽  
Gold Nanoparticles ◽  
Electronic Properties ◽  
Density Functional ◽  
Dft Study ◽  
Functional Theory ◽  
Gold Particles ◽  
Support Materials ◽  
Structural And Electronic Properties

This study investigates the effect of commonly used support materials (MgO, C, CeO2) on small gold particles using dispersion corrected density functional theory (DFT-D).

Synthesis, density functional theory, molecular dynamics and electrochemical studies of 3-thiopheneacetic acid-capped gold nanoparticles

2011 ◽  
Vol 1006 (1-3) ◽  
pp. 494-501 ◽  
Author(s):  
Ndabenhle M. Sosibo ◽  
Phumlane S. Mdluli ◽  
Philani N. Mashazi ◽  
Busiswa Dyan ◽  
Neerish Revaprasadu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Gold Nanoparticles ◽  
Density Functional ◽  
Electrochemical Studies ◽  
Functional Theory
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