Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters

A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …

[HTML][HTML] Advances in II–VI semiconductor magic-size clusters: Synthesis, characterization, and applications in nanotechnology

X Kong, Y Yang, H Zhang, YH Liu, Y Wang - Coordination Chemistry …, 2024 - Elsevier
Semiconductor magic-size clusters (MSCs), especially II–VI group compounds, are popular
materials in nanoscience research due to their unique electronic structures and optical …

On the origin of surface traps in colloidal II–VI semiconductor nanocrystals

AJ Houtepen, Z Hens, JS Owen, I Infante - Chemistry of Materials, 2017 - ACS Publications
One of the greatest challenges in the field of semiconductor nanomaterials is to make trap-
free nanocrystalline structures to attain a remarkable improvement of their optoelectronic …

Ligand induced circular dichroism and circularly polarized luminescence in CdSe quantum dots

U Tohgha, KK Deol, AG Porter, SG Bartko, JK Choi… - ACS …, 2013 - ACS Publications
Chiral thiol cap** ligands l-and d-cysteines induced modular chiroptical properties in
achiral cadmium selenide quantum dots (CdSe QDs). Cys-CdSe prepared from achiral oleic …

Chirality inversion of CdSe and CdS quantum dots without changing the stereochemistry of the cap** ligand

JK Choi, BE Haynie, U Tohgha, L Pap, KW Elliott… - ACS …, 2016 - ACS Publications
l-cysteine derivatives induce and modulate the optical activity of achiral cadmium selenide
(CdSe) and cadmium sulfide (CdS) quantum dots (QDs). Remarkably, N-acetyl-l-cysteine …

CdSe quantum dots functionalized with chiral, thiol-free carboxylic acids: unraveling structural requirements for ligand-induced chirality

K Varga, S Tannir, BE Haynie, BM Leonard… - ACS …, 2017 - ACS Publications
Functionalization of colloidal quantum dots (QDs) with chiral cysteine derivatives by phase-
transfer ligand exchange proved to be a simple yet powerful method for the synthesis of …

First synthesis of Mn-doped cesium lead bromide perovskite magic sized clusters at room temperature

K Xu, ET Vickers, B Luo, ALC Allen… - The journal of …, 2020 - ACS Publications
Mn-doped CsPbBr3 perovskite magic sized clusters (PMSCs) are synthesized for the first
time using benzoic acid and benzylamine as passivating ligands and MnCl2· 4H2O and …

Magic‐Sized Stoichiometric II–VI Nanoclusters

MS Bootharaju, W Baek, S Lee, H Chang, J Kim… - Small, 2021 - Wiley Online Library
Metal chalcogenide nanomaterials have gained widespread interest in the past two decades
for their potential optoelectronic, energy, and catalytic applications. The colloidal growth of …

Influence of cap** ligands, solvent, and thermal effects on CdSe quantum dot optical properties by DFT calculations

DA Fenoll, M Sodupe, X Solans-Monfort - ACS omega, 2023 - ACS Publications
Cadmium selenide nanomaterials are very important materials in photonics, catalysis, and
biomedical applications due to their optical properties that can be tuned through size, shape …

Benchmark assessment of density functional methods on group II–VI MX (M= Zn, Cd; X= S, Se, Te) quantum dots

JM Azpiroz, JM Ugalde, I Infante - Journal of chemical theory and …, 2014 - ACS Publications
In this work, we build a benchmark data set of geometrical parameters, vibrational normal
modes, and low-lying excitation energies for MX quantum dots, with M= Cd, Zn, and X= S …