Yea-Lee Lee

Research Interests

Electronic structures and machine-learning algorithms based on the density functional theory calculations

• Search for high ZT thermoelectric materials 

• Perovskite solar cell

• 2D materials

Publication

* Selected papers

21. https://2DMat.ChemDX.org: Experimental data platform for 2D materials from synthesis to physical properties

      Jin-Hoon Yang, Habin Kang, Hyuk Jin Kim, Taeho Kim, Heonsu Ahn, Tae Gyu Rhee, Yeong Gwang Khim, Byoung Ki Choi, Moon-Ho Jo, Hyunju Chang, Jonghwan Kim, Young Jun Chang and  Yea-Lee Lee, Digital Discovery, 3, 573-585 (Feb 27, 2024).

20. TEXplorer.org: Thermoelectric material properties data platform for experimental and first-principles calculation results

      Yea-Lee Lee, Hyungseok Lee, Seunghun Jang, Jeongho Shin, Taeshik Kim, Sejin Byun, In Chung, Jino Im, and Hyunju Chang, APL Materials 11, 041111    (Apr 5, 2023).

19. Chemical Strain Engineering of Copper Atoms on Continuous Three-Dimensional-Nanopatterned Nickel Nitride to Accelerate Alkaline Hydrogen Evolution

Anand P. Tiwari, Gwangmin Bae, Yeoheung Yoon, Kisun Kim, Jin Kim, Yea-Lee Lee, Ki-Seok An, and Seokwoo Jeon, ACS Sustainable Chem. Eng. 11, 5229-5237 (Mar. 23, 2023).

18. Direct strain correlations at the single-atom level in three-dimensional core-shell interface structures

      Hyesung Jo, Dae Han Wi, Taegu Lee, Yongmin Kwon, Chaehwa Jeong, Juhyeok Lee, Hionsuck Baik, Alexander J. Pattison, Wolfgang Theis, Colin Ophus, Peter Ercius, Yea-Lee Lee, Seunghwa Ryu, Sang Woo Han, and Yongsoo Yang, Nature Commun. 13, 5957 (Oct 10, 2022).     

*17. Data-driven enhancement of ZT in SnSe-based thermoelectric systems

     Yea-Lee Lee, Hyungseok Lee, Taeshik Kim, Sejin Byun, Yong Kyu Lee, Seunghun Jang, In Chung, Hyunju Chang, and Jino Im,  J. Am. Chem. Soc. 144(30), 13748-13763 (Jul 19, 2022).

16. Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons

     Raymond E. Blackwell, Fangzhou Zhao, Erin Brooks, Junmian Zhu, Ilya Piskun, Shenkai Wang, Aidan Delgado, Yea-Lee Lee, Steven G. Louie, and Felix R. Fischer, Nature 600, 647-652 (Dec 22, 2021).

*15. Reducing the high hydrogen binding strength of vanadium carbide MXene with atomic Pt confinement for high activity toward HER

     Seungyoung Park, Yea-Lee Lee (co-first), Yeoheung Yoon, Se Yeon Park, Soonmin Yim, Wooseok Song, Sung Myung, Kug-Seung Lee, Hyunju Chang, Sun Sook Lee, Ki-Seok An, Appl. Cat. B: Environ. 304, 120989 (Dec 3, 2021).

14. Polycrystalline SnSe with a thermoelectric figure of merit greater than the single crystal

     Chongjian Zhou, Yong Kyu Lee, Yuan Yu, Sejin Byun, Zhong-Zhen Luo, Hyungseok Lee, Bangzhi Ge, Yea-Lee Lee, Xinqi Chen, Ji Yeong lee, Oana Cojocaru-Miredin, Hyunju Chang, Jino Im, Sung-Pyo Cho, Matthias Wuttig, Vinayak P. Dravid, Mercouri G. Kanatzdis, In Chung, Nat. Mat. 20, 1378-1384 (Aug 2, 2021).

*13. Tuplewise Material Representation Based Machine Learning for Accurate Band Gap Prediction

     Gyoung S. Na, Seunghun Jang, Yea-Lee Lee*, and Hyunju Chang, J. Phys. Chem. A, 124(50), 10616-10623 (Dec 6, 2020).

*12. Exceptionally High Average Power Factor and Thermoelectric Figure of Merit in n‑type PbSe by the Dual Incorporation of Cu and Te 

      Chongjian Zhou, Yuan Yu, Yea-Lee Lee (co-first), Bangzhi Ge, Weiqun Lu, Oana Cojocaru-Miredin, Jino Im, Sung-Pyo Cho, Matthias Wuttig, Zhongqi     Shi, and In Chung, J. Am. Chem. Soc., 142(35), 15172-15186 (Aug 5, 2020).

*11. Topological phases in cove-edged and chevron graphene nanoribbons: Geometric structures, Ζ2 invariants, and junction states

     Yea-Lee Lee, Fangzhou Zhao, Ting Cao, Jisoon Ihm, and Steven G. Louie, Nano Lett., 18(11), 7247-7253 (Nov 14, 2018).

10. Hierarchical On-Surface Synthesis of Graphene Nanoribbon Heterojunctions 

     Christopher Bronner, Rebecca A. Durr, Daniel J. Rizzo, Yea-Lee Lee, Tomas Marangoni, Alin Miksi Kalayjian, Henry Rodriguez, William Zhao, Steven G. Louie, Felix R. Fischer, and Michael F. Crommie, ACS Nano, 12 (3), 2193-2200 (Mar 27, 2018).

*9. Orbitally matched edge-doping in graphene nanoribbons 

     Rebecca A. Durr, Danny Haberer, Yea-Lee Lee (co-first), Raymond Blackwell, Alin Miksi Kalayjian, Tomas arangoni, Jisoon Ihm, Steven G. Louie, and Felix R. Fischer, J. Am. Chem. Soc. 140 (2), 807-813 (Jan 17, 2018).

  8. Theoretical study on the hydrogen storage mechanism of the Li–Mg–N–H system

     Jong Hyun Jung, Dongwook Kim, Jeongwoon Hwang, Yea-Lee Lee, Jisoon Ihm, Int. J. Hydrogen Energy 41, 17506-17510 (Aug 17, 2016).

  7. Isosteric Heat of Potential Confinement in the Hydrogen Storage Material

     Jaehyun Bae, Jong Hyun Jung, Yea-Lee Lee, Jeongwoon Hwang, Dongwook Kim, Seungwook Son, Jisoon Ihm, Nano, 10 (8), 1550120 (Sep 25, 2015). 

*6. Manifestation of axion electrodynamics through magnetic ordering on edges of topological insulators

     Yea-Lee Lee, Hee Chul Park, Jisoon Ihm, and Young-Woo Son, Proc. Natl. Acad. Sci. 112 (37), 11514-11518 (Aug 31, 2015).

  5. Hydrogen Storage in a Potential Well for Room-Temperature Applications

     Jaehyun Bae, Yea-Lee Lee, Jeongwoon Hwang, Dongwook Kim, Jong Hyun Jung, Seungwook Son, and Jisoon Ihm, Proceeding of 2015 International conference on Environmental Engineering and Remote Sensing    

*4. Controlling Half-metallicity of Graphene Nanoribbons by Ferroelectric Polymer

     Yea-Lee Lee, Seungchul Kim, Changwon Park, Jisoon Ihm, and Young-Woo Son, ACS Nano 4 (3), 1345-1350 (Mar 1, 2010). 

  3. Tunneling-Induced Spectral Broadening of a Single Atom in a Three-Dimensional Optical Lattice

      Wookrae Kim, Changwon Park, Jung-Ryul Kim, Youngwoon Choi, Sungsam Kang, Sooin Lim, Yea-Lee Lee, Jisoon Ihm, and Kyungwon An, Nano Lett. 11 (2), 729-733 (Feb 9, 2010).

  2. Iron-Decorated, Functionalized Metal Organic Framework for High-Capacity Hydrogen Storage: First-Principles Calculations

     Moon-Hyun Cha, Nguyen Mahn Cuong, Yea-Lee Lee, Jino Im, Jisoon Ihm, J. Phys. Chem. C 114 (33), 14276-14280 (Jan 26, 2010).

  1. Calcium-hydroxyl group complex for potential hydrogen storage media: A density functional theory study 

     Nguyen Mahn Cuong, Moon-Hyun Cha, Keunsoo Choi, Yealee Lee, Jisoon Ihm, Phys. Rev. B 79 (23), 233408 (Jun 29, 2009).