scholarly journals Optimized Long-Range Corrected Density Functionals for Electronic and Optical Properties of Bare and Ligated CdSe Quantum Dots

2016 ◽  
Vol 13 (1) ◽  
pp. 110-116 ◽  
Author(s):  
O. S. Bokareva ◽  
M. F. Shibl ◽  
M. J. Al-Marri ◽  
T. Pullerits ◽  
O. Kühn
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Long Range ◽  
Cdse Quantum Dots ◽  
Density Functionals ◽  
Electronic And Optical Properties

Effects of Ag doping on the electronic and optical properties of CdSe quantum dots

2019 ◽  
Vol 21 (29) ◽  
pp. 16108-16119 ◽  
Author(s):  
F. A. Zhao ◽  
H. Y. Xiao ◽  
X. M. Bai ◽  
X. T. Zu
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Cadmium Selenide ◽  
Cdse Nanocrystals ◽  
Cdse Quantum Dots ◽  
Electronic And Optical Properties ◽  
Ag Doping

Cadmium selenide (CdSe) nanocrystals are important photoelectric materials.

Computational insights into CdSe quantum dots' interactions with acetate ligands

2016 ◽  
Vol 18 (30) ◽  
pp. 20499-20510 ◽  
Author(s):  
Patrick K. Tamukong ◽  
Wadumesthrige D. N. Peiris ◽  
Svetlana Kilina
Keyword(s):  
Density Functional Theory ◽  
Quantum Dots ◽  
Optical Properties ◽  
Density Functional ◽  
Time Dependent ◽  
Cdse Quantum Dots ◽  
Functional Theory ◽  
Electronic And Optical Properties ◽  
Carboxylate Groups

Using density functional theory (DFT) and time-dependent DFT (TDDFT), we investigate the effects of carboxylate groups on the electronic and optical properties of CdSe quantum dots (QDs).

Tuning the electronic and optical properties of hexagonal boron-nitride nanosheet by inserting graphene quantum dots

2018 ◽  
Vol 32 (06) ◽  
pp. 1850084 ◽  
Author(s):  
Yi-Min Ding ◽  
Jun-Jie Shi ◽  
Min Zhang ◽  
Meng Wu ◽  
Hui Wang ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
Graphene Quantum Dots ◽  
Band Gaps ◽  
Hybrid Structures ◽  
Electronic And Optical Properties ◽  
Boron Nitride Nanosheet ◽  
Optoelectronic Nanodevices

It is difficult to integrate two-dimensional (2D) graphene and hexagonal boron-nitride (h-BN) in optoelectronic nanodevices, due to the semi-metal and insulator characteristic of graphene and h-BN, respectively. Using the state-of-the-art first-principles calculations based on many-body perturbation theory, we investigate the electronic and optical properties of h-BN nanosheet embedded with graphene dots. We find that C atom impurities doped in h-BN nanosheet tend to phase-separate into graphene quantum dots (QD), and BNC hybrid structure, i.e. a graphene dot within a h-BN background, can be formed. The band gaps of BNC hybrid structures have an inverse relationship with the size of graphene dot. The calculated optical band gaps for BNC structures vary from 4.71 eV to 3.77 eV, which are much smaller than that of h-BN nanosheet. Furthermore, the valence band maximum is located in C atoms bonded to B atoms and conduction band minimum is located in C atoms bonded to N atoms, which means the electron and hole wave functions are closely distributed around the graphene dot. The bound excitons, localized around the graphene dot, determine the optical spectra of the BNC hybrid structures, in which the exciton binding energies decrease with increase in the size of graphene dots. Our results provide an important theoretical basis for the design and development of BNC-based optoelectronic nanodevices.

Influence of Resonant Excitation and Carrier Lifetime on the Optical Properties of Coupled CdSe Quantum Dots

2008 ◽  
Vol 53 (1) ◽  
pp. 106-109 ◽  
Author(s):  
Eunsoon Oh ◽  
Dong Gi Choi ◽  
Jung Hyun Park ◽  
Tae Kyu Lee ◽  
Sanghoon Lee ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Optical Properties ◽  
Carrier Lifetime ◽  
Resonant Excitation ◽  
Cdse Quantum Dots
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