【Academic lecture】Theoretical computational simulation study on some properties of ligand-protected gold nanoclusters

发布时间:2021-10-04浏览次数:10

The lecture topicTheoretical computational simulation study on some properties of ligand-protected gold nanoclusters

The presenter: Yong Pei

Brief introduction of the presenter

Yong Pei, Professor and dean of The School of Chemistry, Xiangtan University, graduated from Nanjing University in 2006, and worked as a postdoctoral fellow at the University of Nebraska-Lincoln from 2006 to 2010. He has been working in the School of Chemistry, Xiangtan University since September 2010. He is the winner of the National Outstanding Youth Fund (2014), the leader of the Innovation team of Advanced Photoelectric and Supramolecular Functional Materials of the Ministry of Education, and the Distinguished Professor of Lotus Scholars of Hunan Province. His research interests include basic theoretical computational chemistry of inorganic nanomaterials, especially noble metal nanoclusters. So far, he has published more than 150 SCI research papers in international high-level research journals (including article 20 j. Am. Chem. Soc., article 5 Angew Chem. Int. Ed), which have been cited more than 7000 times. Furthermore, he has twice served as guest editor of international academic journals: Nanoscale journal of the Royal Society of Chemistry and Accounts of Chemical Research journal of the American Chemical Society. He has written 3 research review papers and 1 monograph chapter, and presided over a number of national, provincial and enterprise horizontal research projects.

Content of the lecture:

This report will mainly introduce precious metal nanoclusters protected by ligands by the research group in recent years. In particular, the theoretical computational simulation of the structure and physical properties of gold nanoclusters protected by mercaptan ligands. The report includes five parts: (1) Introduction of research background. Recent advances and adjustments in the research of gold nanoclusters are reviewed. (2) Cluster structure theory. The basic structural characteristics and structural regularity of gold clusters proposed by our research group are introduced. (3) Electron structure theory of clusters. Some progress in studying the electronic structure of gold nanoclusters is introduced. (4) Metal exchange reaction mechanism of clusters. In this paper, we introduce some recent research progress on spontaneous metal exchange mechanism of such clusters. (5) Summary of research work.

The timeOn October 12th 13:00

The place: The practice floor 3414

The organizer: College of Chemistry and Chemical Engineering