Related Experiment Video
Updated: May 11, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Modeling on the size dependent properties of InP quantum dots: a hybrid functional study
Eunseog Cho1, Hyosook Jang, Junho Lee
1Advanced Material Research Center, Samsung Advanced Institute of Technology-SAIT, Samsung Electronics Co., Mt.14-1, Nongseo-Dong, Giheung-Gu, Yongin-Si, Gyeonggi-Do 449-712, Korea.
Abstract:
Theoretical calculations based on density functional theory were performed to provide better understanding of the size dependent electronic properties of InP quantum dots (QDs). Using a hybrid functional approach, we suggest a reliable analytical equation to describe the change of energy band gap as a function of size. Synthesizing colloidal InP QDs with 2-4 nm diameter and measuring their optical properties was also carried out. It was found that the theoretical band gaps showed a linear dependence on the inverse size of QDs and gave energy band gaps almost identical to the experimental values.
Related Concept Videos
The Quantum-Mechanical Model of an Atom
Valence Bond Theory
Valence Bond Theory and Hybridized Orbitals
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
Hybridization of Atomic Orbitals II
Hybridization of Atomic Orbitals I
Structure of Benzene: Molecular Orbital Model

