Welcome to the homepage of Yun Research Group (Computational Nanomaterials Lab) in the Division of Nanotechnology (Next-Generation Semiconductor Research Team, NSR Team), Convergence Research Institute at Daegu Gyeongbuk Institute of Science and Technology (DGIST). Our research interest focus is on the understanding of fundamental physical properties of novel low-dimensional materials and semiconducting compounds through the first-principles calculations.

NEWS

· 2025. 03. 25. Published in Chemistry of Materials 37, 2358−2366 (2025), the paper entitled "Twist-Induced Dimensional Crossover and Topological Phase Transitions in Bismuthene Quasicrystals".

· 2025. 02. 26. A study of electronic properties depending on the thickness of Bismuth has been accepted for publication in the Chemistry of Materials (IF: 7.2). This work was collaborated with Prof. S. W. Han at University of Ulsan.

· 2024. 10. 23. Published in Physical Chemistry Chemical Physics 26, 26330−26336 (2024), the paper entitled "A promising high temperature 2D thermoelectric material: novel single-layer ZrHfS4" by W. S. Yun et al.

· 2024. 10. 03. A study related to thermoelectric properties of novel 1L-ZrHfS4 has been accepted for publication in Physical Chemistry Chemical Physics.

· 2024. 08. 13. The following paper has been cited more than 200 times. 

"A Chemical Route to Activation of Open Metal Sites in the Copper-Based Metal–Organic Framework Materials HKUST-1 and Cu-MOF-2", J. Am. Chem. Soc. 137, 10009-10015 (2015).

· 2024. 05. 13. The following paper has been cited more than 100 times. 

"Stacking-controllable interlayer coupling and symmetric configuration of multilayered MoS2", NPG Asia Mater. 10, e468 (2018).

· 2024. 03. 05. The following paper has been cited more than 100 times. 

"Local Strain Induced Bandgap Modulation and Photoluminescence Enhancement of Multilayer Transition Metal Dichalcogenides", Chem. Mater. 29, 5124−5133 (2017).

· 2024. 03. 02. Published in Chemical Engineering Journal, the paper entitled "Mapping the low tolerance factor Bi(Li1/3Zr2/3)O3  end member and MPB composition nexus in Bi1/2Na1/2TiO3-based ceramics".

· 2024. 02. 27. A work related to BNT-based Bi(Li1/3Zr2/3)O3 has been accepted for publication in Chemical Engineering Journal (IF: 15.1). This work was collaborated with Prof. C. W. Ahn at University of Ulsan and Prof. Aman Ullah at University of Science and Technology, Bannu, Khyber Pakhtunkhwa, Pakistan.

· 2024. 02. 15. Published in the Journal of Physical Chemistry Letters 15, 1590−1595 (2024), the paper entitled "Hidden Direct Bandgap of Bi2O2Se by Se Vacancy and Enhanced Direct Bandgap of Bismuth Oxide Overlayer". Note that this paper was online published (not version of record, ASAP) on Feb. 02.

· 2024. 02. 13. Published in Ceramics International 50, 8790−8799 (2024), the paper entitled "Large electrostrictive response via tailoring ergodic relaxor state in Bi1/2Na1/2TiO3-based ceramics with Bi(Mn1/2Ce1/2)O3 end-member".

· 2024. 01. 10. A study related to electronic structures of Bi2O2Se has been accepted for publication in the Journal of Physical Chemistry Letters (IF: 5.7). This work was collaborated with Prof. S. W. Han at University of Ulsan.

· 2023. 12. 15. A work related to BNT-based novel ceramic Bi(Mn1/2Ce1/2)O3 has been accepted for publication in Ceramics International (IF: 5.2). This work was collaborated with Prof. C. W. Ahn at University of Ulsan and Prof. Aman Ullah at University of Science and Technology, Bannu, Khyber Pakhtunkhwa, Pakistan.

· 2023. 04. 05. Published in Physical Chemistry Chemical Physics, the paper entitled "Strain-induced dark exciton generation in rippled monolayer MoS2".

· 2023. 03. 09. A work related to dark exciton generation of rippled MoS2 has been accepted for publication in Physical Chemistry Chemical Physics. This work was collaborated with Prof. J.D. Lee's group in the department of Physics & Chemistry at same Institute.

· 2022. 11. 30. Published in Physical Chemistry Chemical Physics, the paper entitled "Thermoelectric performance of novel single-layer ZrTeSe4" by W. S. Yun et al..

· 2022. 11. 18. Published in Scientific Reports, the paper entitled "Hydrogen diffusion and its electrical properties variation as a function of the IGZO stacking structure". 

· 2022. 11. 11. A work related to hydrogenated IGZO has been accepted for publication in Scientific Reports.

· 2022. 11. 01. A study related to thermoelectric properties of novel 1L-ZrTeSe4 has been accepted for publication in Physical Chemistry Chemical Physics.

· 2022. 06. 11. Published in Journal of Applied Physics, the paper entitled "Phase transition of a MoS2 monolayer through top layer desulfurization by He+ ion irradiation".

· 2022. 05. 26. A work related to phase transition of a MoS2 monolayer via top layer desulfurization has been accepted for publication in Journal of Applied Physics. This work was collaborated with Prof. S. W. Han at Univ. of Ulsan.

· 2022. 02. 24. Published in Advanced Materials, the paper entitled "Multilayer WSe2/MoS2 Heterojunction Phototransistors through Periodically Arrayed Nanopore Structures for Bandgap Engineering".

· 2022. 01. 10. A work related to multilayer WSe2/MoS2 heterojunction has been accepted for publication in Advanced Materials. This work was collaborated with Prof. J.-S. Lee's group the Department of Energy Science & Engineering at same institute.

· 2021. 12. 08. Published in Scientific Reports, the paper entitled "Hole doping effect of MoS2 via electron capture of He+ ion irradiation".

· 2021. 11. 23. A work related to n- to p-type conversion of MoS2 has been accepted for publication in Scientific Reports. This work was collaborated with Prof. S. W. Han at Univ. of Ulsan.

· 2021. 07. 23. Published in Advanced Materials Interfaces / Selected as Inside Back Cover, the paper entitled "Interface Defect Engineering of a Large-Scale CVD-Grown MoS2 Monolayer via Residual Sodium at the SiO2/Si Substrate".

· 2021. 06. 25. A work of interface defect engineering of MoS2 monolayer has been (online) published in Adv. Mater. Interfaces.  This work was collaborated with Prof. S. W. Han at Univ. of Ulsan.

· 2021. 06. 11. Homepage has been launched.