Publications

2023

1. 

   Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with machine learning

   Jaclyn R Lunger, Jessica Karaguesian, Hoje Chun, Jiayu Peng, Yitong Tseo, Chung Hsuan Shan, Byungchan Han, Yang Shao-Horn*, and Rafael Gómez-Bombarelli*

   arXiv preprint arXiv:2305.19930, 2023

   HTML

2. 

   Active site engineering of Zn-doped mesoporous ceria toward highly efficient organophosphorus hydrolase-mimicking nanozyme

   Junsang Lee, Xuan Ai Le, Hoje Chun+, Trung Hieu Vu, Daeeun Choi, Byungchan Han*, Moon Il Kim*, and Jinwoo Lee*

   Biosensors and Bioelectronics, 2023

   HTML

3. 

   Design a multiphase interfaced Ge (GeOx)/T-Nb2O5- x/C anode with synergistic high capacity and durability for Li-ion batteries

   Wei Tao+, Hoje Chun, Suseong Hyun, and Byungchan Han*

   Applied Surface Science, 2023

   HTML

4. 

   Increasing CO Binding Energy and Defects by Preserving Cu Oxidation State via O2-Plasma-Assisted N Doping on CuO Enables High C2+ Selectivity and Long-Term Stability in Electrochemical CO2 Reduction

   Dong Gyu Park+, Jae Won Choi+, Hoje Chun+, Hae Sung Jang, Heebin Lee, Won Ho Choi, Byeong Cheul Moon, Keon-Han Kim, Min Gyu Kim, Kyung Min Choi*, Byungchan Han*, and Jeung Ku Kang*

   ACS Catalysis, 2023

   HTML PDF

5. 

   First-principles study on ultrafast Li-ion diffusion in halospinel Li₂Sc_2/3Cl₄ through multichannels designed by aliovalent doping

   Suseong Hyun+, Hoje Chun+, Minjoon Hong, Joonhee Kang, and Byungchan Han*

   Journal of Materials Chemistry A, 2023

   HTML PDF

6. 

   Method for 3D atomic structure determination of multi-element nanoparticles with graphene liquid-cell TEM

   Junyoung Heo, Dongjun Kim, Hyesung Choi, Sungin Kim, Hoje Chun, Cyril F Reboul, Cong TS Van, Dominika Elmlund, Soonmi Choi, Kihyun Kim, and  others

   Scientific Reports, 2023

   HTML

2022

1. 

   Two-dimensional palladium phosphoronitride for oxygen reduction

   See Wee Koh+, Jie Hu+, Hoje Chun+, Peng Yu, Junyu Ge, Zixu Sun, Wei Hong, Qiunan Liu, Kyungju Nam, Byungchan Han*, Zheng Liu*, and Hong Li*

   ACS Applied Materials & Interfaces, 2022

   HTML

2. 

   Accelerated N₂ reduction kinetics in hybrid interfaces of NbTiO₄ and nitrogen-doped carbon nanorod via synergistic electronic coupling effect

   David Kumar Yesudoss+, Hoje Chun+, Byungchan Han*, and Sangaraju Shanmugam*

   Applied Catalysis B: Environmental, 2022

   HTML

3. 

   Tuning the Site-to-Site Interaction in Ru–M (M= Co, Fe, Ni) Diatomic Electrocatalysts to Climb up the Volcano Plot of Oxygen Electroreduction

   Mengjie Liu, Hoje Chun, Tsung-Cheng Yang, Sung Jun Hong, Chia-Min Yang, Byungchan Han, and Lawrence Yoon Suk Lee

   ACS nano, 2022

   HTML

4. 

   N-and B-doped fullerene as peroxidase-and catalase-like metal-free nanozymes with pH-switchable catalytic activity: A first-principles approach

   Sung Jun Hong, Hoje Chun, Minjoon Hong, and Byungchan Han

   Applied Surface Science, 2022

   HTML

5. 

   Tuning the electronic structure and inverse degree of inverse spinel ferrites by integrating samarium orthoferrite for efficient water oxidation

   Juhyung Choi, Daekyu Kim, Sung Jun Hong, Xiandi Zhang, Hwichan Hong, Hoje Chun, Byungchan Han, Lawrence Yoon Suk Lee, and Yuanzhe Piao

   Applied Catalysis B: Environmental, 2022

   HTML

6. 

   3-Dimensional Scanning of Entire Unit Cells in Single Nanoparticles.

   Junyoung Heo, Dohun Kang, Sungin Kim, Hoje Chun, Byungchan Han, Byung Hyo Kim, and Jungwon Park

   ChemNanoMat, 2022

   HTML

7. 

   Outstanding stability of Gd-doped UO₂ against surface oxidation: First-principles study

   Minjoon Hong, Hoje Chun, Choah Kwon, and Byungchan Han

   Applied Surface Science, 2022

   HTML

8. 

   Metastable hexagonal close-packed palladium hydride in liquid cell TEM

   Jaeyoung Hong, Jee-Hwan Bae, Hyesung Jo, Hee-Young Park, Sehyun Lee, Sung Jun Hong, Hoje Chun, Min Kyung Cho, Juyoung Kim, Joodeok Kim, and  others

   Nature, 2022

   HTML

2021

1. 

   First-principle-data-integrated machine-learning approach for high-throughput searching of ternary electrocatalyst toward oxygen reduction reaction

   Hoje Chun+, Eunjik Lee+, Kyungju Nam, Ji-Hoon Jang, Woomin Kyoung, Seung Hyo Noh*, and Byungchan Han*

   Chem Catalysis, 2021

   HTML PDF

2. 

   First-principles-based machine-learning molecular dynamics for crystalline polymers with van der Waals interactions

   Sung Jun Hong+, Hoje Chun+, Jehyun Lee, Byung-Hyun Kim, Min Ho Seo, Joonhee Kang*, and Byungchan Han*

   The Journal of Physical Chemistry Letters, 2021

   HTML

3. 

   Design of a unique anion framework in halospinels for outstanding performance of all solid-state Li-ion batteries: first-principles approach

   Hoje Chun, Kyungju Nam, Sung Jun Hong, Joonhee Kang*, and Byungchan Han*

   Journal of Materials Chemistry A, 2021

   HTML

4. 

   Optical bioelectronic nose of outstanding sensitivity and selectivity toward volatile organic compounds implemented with genetically engineered bacteriophage: Integrated study of multi-scale computational prediction and experimental validation

   Jungyun Park, Jong-Min Lee, Hoje Chun, Yujin Lee, Sung Jun Hong, Hyunwook Jung, Ye-Ji Kim, Won-Geun Kim, Vasanthan Devaraj, Eun Jung Choi, and  others

   Biosensors and Bioelectronics, 2021

   HTML

5. 

   High quantum efficiency and stability of biohybrid quantum dots nanojunctions in bacteriophage-constructed perovskite

   Jong-Min Lee, Jin Woo Choi, Il Jeon, Ye Zhu, Tao Yang, Hoje Chun, Jongmoon Shin, Juyun Park, Joohee Bang, Kyounga Lim, and  others

   Materials Today Nano, 2021

   HTML

6. 

   n-Type thermoelectric properties of a hexagonal SiGe polymorph superior to a cubic SiGe

   Sung Jun Hong, Hoje Chun, Choah Kwon, and Byungchan Han

   Journal of Alloys and Compounds, 2021

   HTML

2020

1. 

   First-principles computational study of Ni/α-Al2O3 hybrid interface reactions under extreme thermodynamic conditions

   Hoje Chun+, Daehyeon Choi+, Joonhee Kang, Jung Su Park, and Byungchan Han*

   Applied Surface Science, 2020

   HTML

2. 

   First-Principles Design of Highly Functional Sulfide Electrolyte of Li_10-xSnP₂S_12-xCl_x for All Solid-State Li-Ion Battery Applications

   Kyungju Nam+, Hoje Chun+, Jeemin Hwang, and Byungchan Han*

   ACS Sustainable Chemistry & Engineering, 2020

   HTML

3. 

   Unique design of superior metal-organic framework for removal of toxic chemicals in humid environment via direct functionalization of the metal nodes

   Ga-Young Cha+, Hoje Chun+, Do-Young Hong, Jaegyeom Kim, Kyung-Ho Cho, U-Hwang Lee, Jong-San Chang, Sam Gon Ryu, Hae Wan Lee, Seung-Joo Kim, and  others

   Journal of Hazardous Materials, 2020

   HTML

4. 

   Pairing of transition metal dichalcogenides and doped graphene for catalytically dual active interfaces for the hydrogen evolution reaction

   Kyungju Nam, Hoje Chun, Jeemin Hwang, Kyung-Ah Min, and Byungchan Han

   ACS Sustainable Chemistry & Engineering, 2020

   HTML

5. 

   First-principles mechanism study on distinct optoelectronic properties of Cl-doped 2D hybrid tin iodide perovskite

   Sung Jun Hong, Hoje Chun, Kyung-Ah Min, and Byungchan Han

   Journal of Materials Chemistry C, 2020

   HTML

6. 

   Critical differences in 3D atomic structure of individual ligand-protected nanocrystals in solution

   Byung Hyo Kim, Junyoung Heo, Sungin Kim, Cyril F Reboul, Hoje Chun, Dohun Kang, Hyeonhu Bae, Hyejeong Hyun, Jongwoo Lim, Hoonkyung Lee, and  others

   Science, 2020

   HTML

7. 

   Ultrastable molybdenum disulfide-based electrocatalyst for hydrogen evolution in acidic media

   Yunxing Zhao, Jeemin Hwang, Michael T Tang, Hoje Chun, Xingli Wang, Hu Zhao, Karen Chan, Byungchan Han, Pingqi Gao, and Hong Li

   Journal of Power Sources, 2020

   HTML

2019

1. 

   Design of highly efficient adsorbents for removal of gaseous methyl iodide using tertiary amine-impregnated activated carbon: Integrated experimental and first-principles approach

   Keon Ho+, Hoje Chun+, Hyung Chae Lee, Yunjo Lee, Seulah Lee, Hyunwook Jung, Byungchan Han, and Chang-Ha Lee

   Chemical Engineering Journal, 2019

   HTML

2. 

   Elucidation of hydrolysis reaction mechanism of tungsten hexafluoride (WF6) using first-principles calculations

   Hyunwook Jung, Jeemin Hwang, Hoje Chun, and Byungchan Han

   Journal of Industrial and Engineering Chemistry, 2019

   HTML

2018

1. 

   Universal scaling relationship to screen an efficient metallic adsorbent for adsorptive removal of iodine gas under humid conditions: first-principles study

   Hoje Chun, Joonhee Kang, and Byungchan Han

   The Journal of Physical Chemistry C, 2018

   HTML

2. 

   First-principles database driven computational neural network approach to the discovery of active ternary nanocatalysts for oxygen reduction reaction

   Joonhee Kang, Seung Hyo Noh, Jeemin Hwang, Hoje Chun, Hansung Kim, and Byungchan Han

   Physical Chemistry Chemical Physics, 2018

   HTML

3. 

   First principles computational study on hydrolysis of hazardous chemicals phosphorus trichloride and oxychloride (PCl3 and POCl3) catalyzed by molecular water clusters

   Hyunwook Jung, Joonhee Kang, Hoje Chun, and Byungchan Han

   Journal of hazardous materials, 2018

   HTML

4. 

   First principles computational studies of spontaneous reduction reaction of Eu (III) in eutectic LiCl-KCl molten salt

   Choah Kwon, Seung Hyo Noh, Hoje Chun, Il Soon Hwang, and Byungchan Han

   International Journal of Energy Research, 2018

   HTML

2016

1. 

   First principles computational study on the adsorption mechanism of organic methyl iodide gas on triethylenediamine impregnated activated carbon

   Hoje Chun, Joonhee Kang, and Byungchan Han

   Physical Chemistry Chemical Physics, 2016

   HTML