On 27 May, Dr. Shou-Wang YANG from Institute of High Performance Computing, Singapore, gave a talk entitled “Theoretical Investigations on Coordination Polymers for High-performance Thermoelectric Applications” at IAPME. Dr. Yang introduced organic-based thermoelectric (TE) material with flexibility, easy to process and low kz (0.1-1.0 W m K). He mainly talked about coordination TE materials. He said that the mechanism behind remains unclear for TE performance and theoretical investigations can provide significant information from the fundamental geometry structures to TE properties. Based on that, he carried out three works. 1) select a series of d8 transition-metal coordination polymers and study their TE properties. 2) uncover the relationship between the TE properties and geometry/electronic structures down to molecular level. 3) provide a selection rule for searching new coordination TE materials.

Dr. Shuo-Wang YANG obtained his bachelor and 1st master degrees from Zhejiang University, China in 1985 and 1988, respectively. He got his 2nd master degree and Ph.D degree from National University of Singapore. As a materials theoretician, Dr. Yang’s main researches include first-principles based prediction of thermoelectric property and the design of new organic thermoelectric materials, especially for coordination polymers and composition structures. In addition, he has been working on molecular electronics and spintronics (especially for sandwich molecular clusters and wires) and their applications for many years. Besides, Dr. Yang is also experienced in modelling molecular self-assembly on surfaces, including nanostructures such as nanowire, nanotubes and nanoclusters. He has published more than 80 high impactor scientific papers.