Designing Quantum-Materials

Designing Quantum-Materials

Historically, materials discovery has mostly relied on the Edisonian trial and error approach. However, such a traditional process becomes increasingly time-consuming, leading to material from laboratory to market can take many years and is very expensive. Thus, this project aims to accelerate the exploration, design, and discovery of high-performance and low-cost quantum materials, such as 2D or topological materials, for energy-efficiency applications, including thermoelectricity, photocatalysis, and low-power electronic devices. We call this “Energy Tree”.

The integrated approach will combine the DFT calculations and data-driven methods (i.e., high-throughput screening and machine learning). Compared to traditional materials discovery, the integrated approach has the potential to substantially reduce the experimental efforts needed to identify promising materials with target functionalities for the new energy quantum materials.

Selected Publications

  1. V. V. Thanh, D. V. Truong and N. T. Hung, Janus γ-Ge2SSe monolayer as a high-performance material for photocatalysis and thermoelectricity, ACS Appl. Energy Mater. 6, 910-919 (2023).
  2. F. R. Pratama, R. Saito and N. T. Hung, Magneto-Seebeck coefficient of the Fermi liquid in three-dimensional Dirac and Weyl semimetals, Phys. Rev. B: Lett. 106, L081304 (2022).
  3. N. T. Hung, A. R. T. Nugraha, J. M. Adhidewata and R. Saito, Enhanced thermoelectric performance by van Hove singularities in the density of states of type‑II nodal‑line semimetals, Phys. Rev. B 105, 115142‑1‑5 (2022).
  4. S. Wang, N. T. Hung, H. Tian, M. S. Islam and R. Saito, Switching behavior of a heterostructure based on periodically doped graphene nanoribbon, Phys. Rev. Appl. 16, 024030 (2021).