Programme

P.72 -- Poster, VCTP-44

Date: Thursday, 1 August 2019

Time: 08:30 - 10:00

Mechanical-thermodynamic responses of 2D penta-graphene materials under applied forces

Nhan Hoang Le (1), Quoc Tuan Truong (1), Trung Phuc Vo (1), Thanh Tien Nguyen (1), Minh Triet Dang (2)

(1) Faculty of Science, Cantho University, Cantho, Vietnam (2) School of Education, Cantho University, Cantho, Vietnam

Recent simulations demonstrate penta-graphene as a promising semiconductor candiate for new optoelectronic properties with quasi-direct band gap of ~4.48eV. Penta-graphene can be transitioned from a pentagonal high-energy to a hexagonal low energy level via applied forces or temperature. In this presentation, we demonstrate this sudden but universal transition from pentagon-based to hexagon-based structures by melting or uniaxial yielding these penta-graphene sheets. We provide a direct link between the thermodynamic elastic and plastic deformations and the corresponding transport properties of this interesting material. These results highlight the essential role of conformational changes of 2D penta-graphene materials to applied thermal and mechanical energy. Acknowledgement: This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2018.308

Presenter: Nhân Hoàng Lê