Research Seminar of Prof. Zhang Lijun from Jilin University

Lecture Time: 09:00 on 16th May, 2017

Lecture Room: C501 of Science and Innovation Building

Lecture Title:Computational Design of Functional Semiconductor Materials

Abstract

Functional semiconductor materials are widely used in many applications such as electronics, optoelectronics, thermoelectrics, quantum information, etc. Discovery of new semiconductors via rational design is of crucial importance for making breakthrough enhancement of materials performance in applications. With dramatically increasing computing capability of supercomputers and continuously developed computational algorithms, people can resort to materials simulation to explore the properties of thousands of potentially useful materials in a fraction of time that the real experiments might take. This makes theoretical design of functional materials with desired properties in computers come true. In this talk depending on time I will present our recent work on computational materials by design for several functional semiconductor systems [1-8] (e.g., solar absorbers, transparent conductors, low-dimensional semiconductors, etc.). I will also share our concerns about the challenges and potential solutions for realizing the truly sense of materials by design.

References:
1. Lijun Zhang et al., Nano Lett. 12, 984 (2012).
2. Lijun Zhang* et al., Nano Lett. 15, 949 (2015).
3. Lijun Zhang* et al., Nano Lett. 15, 88 (2015).
4. Lijun Zhang* et al., Chem. Mater. 29, 2459 (2017).
5. Lijun Zhang* et al., Chem. Mater. 29, 524 (2017).
6. Lijun Zhang* et al., J. Am. Chem. Soc. 139, 2630 (2017).
7. Lijun Zhang* et al., J. Am. Chem. Soc. 10.1021/jacs.7b02120 (2017).
8. Lijun Zhang* et al., J. Am. Chem. Soc. 10.1021/jacs.7b01815 (2017).