报告人：寇良志 博士

报告题目：2D Gas Sensors with High Sensitivity and Selectivity: Insight from Theoretical Simulations

报告时间：2019年7月16日 9:30

报告地点：知新楼C座C1011室

邀请人：马衍东 教授

报告摘要:

Toxic gas detection and capture are two important topics, which are highly related with human health and environments. Recent investigations have suggested two‐dimensional (2D) materials to be as ideal candidates for gas sensing and capturing due to the large surface–volume ratio and reactive surface^[1]. Here, theoretical simulations based on first‐principles calculations have identified monolayer black phosphorene exhibits superior sensing performance that rivals or even surpasses that of other 2D materials such as graphene and MoS₂. Due to the structural anisotropy, the I–V relation exhibits distinct responses with a marked change of the I–V relation along either the armchair or the zigzag directions^[2]. We also developed the feasible approaches to modulate the gas sensing behaviors. For example, external strain deformation can well control the behavior of gas adsorption on MoS₂^[3]. Beside the mechanical approach, the intrinsic polarization in Janus MoSSe can also act as an effective method to improve the gas sensitivities, where the gases have different adsorption behaviors at opposite surfaces^[4]. Finally, we demonstrated the reversible gas sensing in 2D ferroelectric materials.

References

[1] X. Tang, A. Du and L. Kou, WIRES: Comp. Mol. Sci. 8, e1361 (2018).

[2] L. Kou, T. Frauenheim, and C. Chen, J. Phys. Chem. Lett., 5 , 2675 (2014)

[3] L Kou, A Du, C Chen, T Frauenheim, Nanoscale 6, 5156 (2014)

[4] C. Jin, X. Tang, X. Tan, S. Smith, Y. Dai and L. Kou, J. Mater. Chem. A, 7, 1099-1106 (2019)

报告人简介:

Dr. Liangzhi Kou received his Ph.D. in 2011 from Nanjing University of Aeronautics and Astronautics. He was an Alexander von Humboldt Fellow at the Bremen Center of Computational Materials Sciences (BCCMS) in Germany during 2012–2014, a Research Associate at UNSW Australia in 2014, and ARC-DECRA fellow during 2015-2018. He has been a Lecturer at Queensland University of Technology since 2015, and promoted to senior lecturer at 2018. He now build a small research group with 2 phd students, and several visiting students. His research mainly focuses on computational discovery and design of novel 2D materials for energy applications and 2D topological insulators.