50th Vietnam Conference on Theoretical Physics (VCTP-50)
Hội nghị Vật lý lý thuyết Việt Nam lần thứ 50
Đà Lạt, 4-7 August, 2025

Programme

P.41 -- Posters, VCTP-50

Date: Tuesday, 5 August 2025

Time: 08:30 - 10:00

Electronic and thermoelectric properties of WO3 under the adsorption of volatile organic compounds: first-principle study

Phan Thi Hong Hoa (1,2), Do Ngoc Son (1,2)

(1) Ho Chi Minh City University of Technology, (2) Vietnam National University Ho Chi Minh City

Cancers release certain volatile organic compounds in the patient’s breath. Early-stage and non-invasive diagnosis via sensors has attracted much attention from researchers. WO3 is a candidate for sensor materials, whereas no study has been published to clarify the electronic and thermoelectric properties of this material for detecting volatile organic compounds. By the density functional theory calculations, we clarified the properties of WO3 upon the adsorption of volatile organic compounds.

Presenter: Phan Thi Hong Hoa


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