Ligand dynamics on the surface of CdSe nanocrystals-Reference-Cited by-同舟云学术

Ligand dynamics on the surface of CdSe nanocrystals

Published:2023 Issue:16 Volume:15 Page:7410-7419
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Cosseddu Salvatore¹,Pascazio Roberta²³,Giansante Carlo⁴^ORCID,Manna Liberato²^ORCID,Infante Ivan²⁵⁶^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling (ACMM), VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Department of Nanochemistry, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova, Italy

3. Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, 16146 Genova, Italy

4. Consiglio Nazionale delle Ricerche, Istituto di Nanotecnologia CNR-NANOTEC, Via Monteroni, 73100 Lecce, Italy

5. BCMaterials, Basque Center for Materials, Applications, and Nanostructures, UPV/EHU Science Park, Leioa 48940, Spain

6. Ikerbasque Basque Foundation for Science, Bilbao 48009, Spain

Abstract

Classical molecular dynamics simulations can help understand the locations, binding modes and mobilities of carboxylate ligands on CdSe nanocrystals, aiding in the optimization of their overall performance and efficiency.

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2023/NR/D2NR06681E

Reference63 articles.

1. Electron–electron and electron‐hole interactions in small semiconductor crystallites: The size dependence of the lowest excited electronic state

2. Benchmark Assessment of Density Functional Methods on Group II–VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots

3. Molecular-Level Insight into Semiconductor Nanocrystal Surfaces