Programme

P.29 -- Posters, VCTP-51

Date: Tuesday, 4 August 2026

Time: 09:30 - 10:30

A DFT study of acetone adsorption on the zinc oxide nanosheets

Nguyen Vu Dang Khoa (1,2), Nguyen Thi My Ngoc (1,2), Nguyen Luu Thanh Ngan (1,2), Phan Thi Hong Hoa (1,2), Pham Thanh Hai (1,2,3), Tran Phuong Dung (4,5), and Do Ngoc Son (1,2,*)

(1) Ho Chi Minh City University of Technology (HCMUT), 268 Ly Thuong Kiet Street, Dien Hong Ward, Ho Chi Minh City, Vietnam; (2) Vietnam National University Ho Chi Minh City, Linh Xuan Ward, Ho Chi Minh City, Vietnam; (3) Institute for Tropical Technology, 57A Truong Quoc Dung Street, Phu Nhuan Ward, Ho Chi Minh City 70000, Vietnam; (4) University of Science, Vietnam National University, Ho Chi Minh City, Vietnam; (5) Ho Chi Minh City University of Education, Ho Chi Minh City, Vietnam. (*) Corresponding author: dnson@hcmut.edu.vn

Using density functional theory simulations, we theoretically investigate the acetone adsorption performance of pristine and doped zinc oxide (ZnO) nanosheets. Our results reveal that the introduction of dopants significantly enhances the acetone-sensing capabilities of the ZnO nanosheets. Notably, acetone adsorption on the doped ZnO induces a dramatic shift of the Fermi level from the bandgap region into the conduction band, triggering a clear transition from a semiconducting to a metallic conducting state. This profound electronic modulation demonstrates the high potential of doped ZnO nanosheets for use in non-invasive, real-time breath acetone sensors for diabetic blood sugar monitoring.

Presenter: Nguyen Vu Dang Khoa