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Fulfilling the potential of the colloidal semiconductor quantum dots (QDs) in electrically driven applications remains a challenge largely since operation of such devices involves charged QDs with drastically different photo-physical…

Metal oxide nanostructures are widely used in energy applications like super capacitors and Li-on battery. Smaller size nanocrystals show better stability, low ion diffusion time, higher-ion flux and low pulverization than bigger size…

Materials Science · Physics 2016-05-12 V. Bonu , B. Gupta , S. Chandra , A Das , S. Dhara , A. K. Tyagi

Colloidal quantum dots (QDs) and their thin-films are increasingly used in electronic and photonic devices replacing traditional bulk semiconductors. However, thermal properties of the QDs are comparatively underexplored relative to device…

We present a symmetry-based calculation of the electronic structure of a compound semiconductor quantum dot (QD) in the sp^3s* tight-binding model including the spin-orbit interaction. The Hamiltonian matrix is diagonalized exactly for CdTe…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 J. Perez-Conde , A. K. Bhattacharjee

This study has explored numerous physical properties of CaPd$_3$Ti$_4$O$_{1}$2 (CPTO) and CaPd$_3$V$_4$O$_{12}$ (CPVO) quadruple perovskites employing the density functional theory (DFT) method. The mechanical permanence of these two…

We present evidence of cavity quantum electrodynamics from a sparse density of strongly quantum-confined Pb-chalcogenide nanocrystals (between 1 and 10) approaching single-dot levels on moderately high-Q mesoscopic silicon optical cavities.…

Quantum Physics · Physics 2015-05-13 Ranojoy Bose , Jie Gao , James F. McMillan , Alex D. Williams , Chee Wei Wong

Quantum dot light-emitting diodes (QLEDs) are promising building blocks for prospective lighting and display applications. Despite the significant advancements achieved towards increasing the efficiency and brightness levels of QLEDs, the…

A spherical quantum dot (QD) heterosystem CdS/SiO$_2$ has been studied. Each QD has a hydrogen-like impurity in its center. Besides that, it has been accounted that a polarization trap for electron exists at the interfaces due to the…

Mesoscale and Nanoscale Physics · Physics 2017-12-15 V. I. Boichuk , R. Ya. Leshko , D. S. Karpyn

Density functional theory (DFT) and thermal DFT (thDFT) calculations were used to evaluate the energy band structure, bandgap, and the total energy of various graphene quantum dots (GQDs). The DFT calculations were performed using local…

Materials Science · Physics 2021-12-20 Majid Ghandchi , Ghafar Darvish , Mohammad Kazem Moravvej-Farshi

Quantum dot (QD) assemblies are nanostructured networks made from aggregates of QDs and feature improved charge and energy transfer efficiencies compared to discrete QDs. Using first-principles many-body perturbation theory, we…

Materials Science · Physics 2022-10-25 Sandip Aryal , Joseph Frimpong , Zhen-Fei Liu

DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signifying robustness under ambient…

Materials Science · Physics 2026-04-30 Hemn. G. H , Nzar. R. Abdullah , Vidar Gudmundsson

The charge collection properties of CVD diamond have been investigated with ionising radiation. In this study two CVD diamond samples, prepared with electrical contacts have been used as solid state ionisation chambers. The diamonds have…

High Energy Physics - Experiment · Physics 2015-06-25 Ties Behnke , Petra Hüntemeyer , Alexander Oh , Johannes Steuerer , Albrecht Wagner , Wolfram Zeuner

We study the optical properties of hydrogen passivated silicon, germanium and mixed Ge/Si core/shell quantum dots (QDs) using high accuracy Density Functional Theory (DFT) and time-dependent DFT (TDFT). We employ the hybrid DFT functional…

Mesoscale and Nanoscale Physics · Physics 2016-04-19 Shanawer Niaz , Aristides D. Zdetsis , Manzoor Ahmad Badar , Safdar Hussain , Imran Sadiq , Muhammad Aslam Khan

This work presents an analysis of the electronic and optical properties of InAs/GaAs columnar quantum dots (QDs) by performing multi-million-atom tight-binding simulations. The plots of the polarisation-dependent ground state optical…

Mesoscale and Nanoscale Physics · Physics 2020-06-30 Muhammad Usman

Semiconductor nanoparticles (quantum dots) were studied in the context of liquid scintillator development for upcoming neutrino experiments. The unique optical and chemical properties of quantum dots are particularly promising for the use…

Instrumentation and Detectors · Physics 2015-06-16 C. Aberle , J. J. Li , S. Weiss , L. Winslow

Building up a solid-state material from quantum dots (QD), which are often referred to as artificial atoms, offers the potential to create new materials with unprecedented macroscopic properties. The investigation of the electronic…

Mesoscale and Nanoscale Physics · Physics 2024-12-13 Morteza Shokrani , Dorothea Scheunemann , Clemens Göhler , Martijn Kemerink

A first-principles study has been performed to evaluate the electronic and optical properties of wurtzite Zn1-xCdxO up to x=0.25. We have employed the Perdew-Burke-Ernzerhof (PBE) form of generalized gradient approximation within the…

Materials Science · Physics 2012-10-02 X. D. Zhang , M. L. Guo , W. X. Li , C. L. Liu

Quantum dots (QDs), embedded in supercapacitors (S-C) cells exhibited capacitance amplification that peaked at certain QD concentration. More than 2.5 peak amplification was demonstrated with cyclic voltammetry (C-V) at a scan rate of 0.1…

Chemical Physics · Physics 2025-08-25 H. Grebel

CdTe and CdS are emerging as the most promising materials for thin film photovoltaics in the quest of the achievement of grid parity. The major challenge for the advancement of grid parity is the achievement of high quality at the same time…

In this work we develop a simple theory for the green photoluminescence of ZnO quantum dots (QDs) that allows us to understand and rationalize several experimental findings on fundamental grounds. We calculate the spectrum of light emitted…

Optics · Physics 2018-04-11 R. Carmina Monreal , S. Peter Apell , Tomasz J. Antosiewicz