Understanding the second and third order nonlinear optical responses of M@b66/64Al12N12: a comprehensive DFT and TD-DFT study-Reference-Cited by-同舟云学术

Understanding the second and third order nonlinear optical responses of M@b_66/64Al₁₂N₁₂: a comprehensive DFT and TD-DFT study

Published:2024 Issue:26 Volume:48 Page:11812-11828
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Zaidi Meriem¹²^ORCID,Hannachi Douniazed³⁴^ORCID,Chaoui Nahla¹,Chermette Henry⁵^ORCID

Affiliation:

1. Département de chimie, Faculté des Sciences, Université Ferhat Abbas, Setif-1, Algérie, Algeria

2. Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas, Sétif 1, Sétif 19000, Algeria

3. Laboratoire d'Électrochimie, d'Ingénierie Moléculaire et de Catalyse Redox (LEIMCR), Département d’Enseignement de Base en Technologie, Faculté de Technologie, Université Ferhat Abbas, Sétif-1, Algeria

4. Département de Chimie, Faculté des Sciences de la Matière, Université de Batna-1, Algeria

5. Université de Lyon, Université Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR CNRS 5280, 69622 Villeurbanne Cedex, France

Abstract

First DFT/TD-DFT computational study of the second and third order nonlinear optical responses of M@b66/64Al12N12 (M = 3d metal). Resonance energy and oscillator strength bolster the dynamic first hyperpolarizability of the nanoparticles.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NJ/D4NJ01849D

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