Rapid Access to Ground- and Excited-State Properties of Gold Nanoclusters Coated with Organic Ligands: Evaluation of the DFTB Method Performance-Reference-Cited by-同舟云学术

Rapid Access to Ground- and Excited-State Properties of Gold Nanoclusters Coated with Organic Ligands: Evaluation of the DFTB Method Performance

Author:

Maghrebi Khaoula¹²,Chantrenne Isaac³,Messaoudi Sabri¹²⁴^ORCID,Frauenheim Thomas⁵⁶⁷,Fihey Arnaud³^ORCID,Lien-Medrano Carlos R.⁸^ORCID

Affiliation:

1. Faculty of Sciences of Bizerte FSB, Carthage University, 7021 Jarzouna, Tunisia

2. Laboratory of Materials, Molecules and Applications, IPEST, Carthage University, Sidi Bou Said Road B.P. 51 La Marsa, 2070 Tunisia

3. Univ Rennes CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, F-35000 Rennes, France

4. Department of Chemistry College of Science, Qassim University, Buraidah 51452, Saudi Arabia

5. Constructor University, School of Science, Campus Ring 1, 28759 Bremen, Germany

6. Beijing Computational Research Center (CSRC), 100193 Beijing, China

7. Shenzen JL Computational Science and Applied Research Institute (CSAR), 518110 Shenzhen, China

8. Bremen Center for Computational Materials Science (BCCMS), Universität Bremen, 28359 Bremen, Germany

Funder

Agence Nationale de la Recherche

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

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

Link

Reference70 articles.