Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology-Reference-Cited by-同舟云学术

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Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology

Published:2011-07-25 Issue:32 Volume:115 Page:15793-15800
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Albert Victor V.¹,Ivanov Sergei A.¹,Tretiak Sergei¹,Kilina Svetlana V.²

Affiliation:

1. Theoretical Division and Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Department of Chemistry and Biochemistry, North Dakota State University, Fargo, North Dakota 58108, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp202510z

Reference73 articles.

1. Electroluminescence from single monolayers of nanocrystals in molecular organic devices

2. Semiconductor quantum dots and related systems: Electronic, optical, luminescence and related properties of low dimensional systems

3. Efficient, Stable Infrared Photovoltaics Based on Solution-Cast Colloidal Quantum Dots

4. Charge-Qubit Operation of an Isolated Double Quantum Dot

5. Tunable Near-Infrared Optical Gain and Amplified Spontaneous Emission Using PbSe Nanocrystals

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1. Carboxylic acid isomer-directed synthesis of CdS nanocluster isomers;Chemical Science;2024

2. Ground- and Excited-State Properties of Charged Non-Stoichiometric Quantum Dots;Chemistry of Materials;2023-12-26

3. Ab initio calculations of through-space and through-bond charge-transfer properties of interacting Janus-like PbSe and CdSe quantum dot heterostructures;Molecular Physics;2023-10-26

4. Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals;The Journal of Chemical Physics;2023-08-21

5. Influence of Capping Ligands, Solvent, and Thermal Effects on CdSe Quantum Dot Optical Properties by DFT Calculations;ACS Omega;2023-03-17

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