Faculty of Physics, Hanoi University of Science

French (Fr)

Seminar Oct. 2018: Computational Material Design For Ion Batteries And Organic Gas Sensors

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Bộ môn Tin Vật lý thuộc Khoa Vật lý, trường Đại học Khoa học Tự nhiên Hà Nội trân trọng kính mời quý vị đến dự seminar khoa học tháng 10/2018 do Khoa Vật lý tài trợ
Seminar tháng 10/2018 sẽ được tổ chức theo lịch như sau:
Ngày: 05/10/2018 (Thứ 6)
Giờ: từ 9 giờ 00 sáng đến 10 giờ 00 sáng
Địa điểm: Phòng 408F, nhà T1, 334 Nguyễn Trãi
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Speaker: Dr. DINH VAN AN (JICA long-term Expert at Nanotechnology Program, Vietnam Japan University, VNU; Graduate School of Engineering, Osaka University, Japan)

Title: Computational Material Design For Ion Batteries And Organic Gas Sensors

Abstract: In this talk I will introduce two research directions of my group:

1. Material design for rechargeable ion batteries: Using the density functional calculations, we investigated the crystal and electronic structures, electrochemical properties and ion diffusion mechanism of several materials used for cathode and anode of Li/Na ion batteries. The diffusion of Li+/Na+ ion which is accompanied by a positive small polaron is described by three elementary diffusion processes, including single, crossing and parallel diffusions [1]. Diffusion barrier and pathway are explored by NEB method.

2. Material design towards the early detection of lung cancer: Every year, the large number of death due to lung cancer is reported. 5 years after diagnosis, there are only 14% of the lung cancer patients are alive. Screening tests to detect lung cancer at an early stage is very important for localizing the cancer cells and significantly improving the possibility of the curability of the disease. Breath contains clinically useful markers such as the violate organic compounds (VOCs), which can be detected by electronic sensors. In this seminar, I will introduce briefly the quantum simulation methods in searching the 2-dimensional materials for the sensitive devices that can be used in detecting the lung cancer at early stage.

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Trân trọng,
Bộ môn Tin Vật lý.
Attachments:
Download this file (Poster_seminar_Oct_2018.pdf)Poster[Poster]450 Kb

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