Programme

P.21 -- Posters, VCTP-51

Date: Tuesday, 4 August 2026

Time: 09:30 - 10:30

Investigating physical properties of nano tungsten trioxide under the adsorption of liver cancer-related gases using density functional theory

Phan Thi Hong Hoa (1,2), Nguyen Luu Thanh Ngan (1,2), Nguyen Vu Dang Khoa (1,2), and Do Ngoc Son (1,2)

(1) Ho Chi Minh City University of Technology, 268 Ly Thuong Kiet, Dien Hong Ward, Ho Chi Minh City, Vietnam; (2) Vietnam National University Ho Chi Minh City, Linh Xuan Ward, Ho Chi Minh City, Vietnam.

Volatile organic compounds in exhaled breath open up a promising avenue for non-invasive early cancer diagnosis. Tungsten trioxide is a promising sensing material; however, no studies have been published to clarify its electronic and thermoelectric properties for detecting volatile organic compounds. By the density functional theory calculations and the Boltzmann transport equation, we clarified the properties of tungsten trioxide upon the adsorption of volatile organic compounds. Acknowledgement. This research was funded by Vietnam National University Ho Chi Minh City (VNU-HCM) under grant number A2025-20-02.

Presenter: Phan Thi Hong Hoa