Comparison of a density functional theory and a Hartree treatment of silicon quantum dot

2002 ◽  
Vol 92 (6) ◽  
pp. 3141-3146 ◽  
Author(s):  
Johann Sée ◽  
Philippe Dollfus ◽  
Sylvie Galdin
Keyword(s):  
Density Functional Theory ◽  
Quantum Dot ◽  
Density Functional ◽  
Functional Theory ◽  
Silicon Quantum Dot

Catalytic performance of graphene quantum dot supported manganese phthalocyanine for efficient oxygen reduction: density functional theory approach

2019 ◽  
Vol 43 (1) ◽  
pp. 348-355 ◽  
Author(s):  
Nguyet N. T. Pham ◽  
Jong S. Park ◽  
Hee-Tak Kim ◽  
Hyoung-Juhn Kim ◽  
Young-A Son ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Free Energy ◽  
Quantum Dot ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Catalytic Performance ◽  
Theory Approach ◽  
Functional Theory ◽  
Graphene Quantum Dot ◽  
Orr Activity

The thermodynamic free-energy diagrams predict that MnPc/GQD is more active toward ORR than the isolated MnPc, clearly highlighting the effect of the GQD matrix on ORR activity from a thermodynamic perspective.

Ab initio calculation of halide ligand passivation on PbSe quantum dot facets

RSC Advances ◽  
2016 ◽  
Vol 6 (106) ◽  
pp. 104699-104707 ◽  
Author(s):  
B. Wang ◽  
H. Xia ◽  
Z. Zhang ◽  
J. Yang ◽  
R. Patterson ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Quantum Dot ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Density Functional ◽  
Lead Selenide ◽  
Charge Compensation ◽  
Functional Theory ◽  
Halide Ligand ◽  
Halide Ligands

The passivation and charge compensation provided by inorganic halide ligands on low index facets of lead selenide (PbSe) nanocrystals has been studied using density functional theory.

Excitonic characteristics of blue-emitting quantum dot materials in group II-VI using hybrid time-dependent density functional theory

2021 ◽  
Vol 104 (4) ◽  
Author(s):  
Pingping Han ◽  
Jingjing Min ◽  
Zaiping Zeng ◽  
Christos S. Garoufalis ◽  
Sotirios Baskoutas ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Quantum Dot ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Group Ii ◽  
Dependent Density
Sign in / Sign up

Export Citation Format

Share Document