| 2024-02 | Unveiling Valence State-Dependent Photocatalytic Water Splitting Activity and Photocathodic Behavior in Visible Light-Active Iridium-Doped BaTiO3 | Chandrappa, Sujana; Myakala, Stephen Nagaraju; Koshi, Namitha Anna; Galbao, Simon Joyson; Lee, Seung-Cheol; Bhattacharjee, Satadeep; Eder, Dominik; Cherevan, Alexey; Murthy, Dharmapura H. K. |
| 2023-09 | Comprehensive interpretations of thermodynamic and kinetic effects on the phase fractions in Hf1-xZrxO2 by first principle calculations | Ye, Kun Hee; Yeu, In Won; Han, Gyuseung; Jeong, Taeyoung; Yoon, Seungjae; Kim, Dohyun; Hwang, Cheol Seong; Choi, Jung-Hae |
| 2023-02 | Computational design of novel MAX phase alloys as potential hydrogen storage media combining first principles and cluster expansion methods | Das, Pritam; Thekkepat, Krishnamohan; Lee, Young-Su; Lee, Seung-Cheol; Bhattacharjee, Satadeep |
| 2024-04 | Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculations | Gueriba, Jessiel Siaron; Mizuseki, Hiroshi; Cadatal-Raduban, Marilou; Sarukura, Nobuhiko; Kawazoe, Yoshiyuki; Nagasawa, Yosuke; Hirano, Akira; Amano, Hiroshi |
| 2023-07 | Quasi-random distribution of distorted nanostructures enhances thermoelectric performance of high-entropy chalcopyrite | Acharya, Somnath; Hwang, Junphil; Kim, Kwangrae; 김정원; Hwang, Woohyun; Soon, Aloysius; Kim, Woochul |
| 2022-03 | Role of surface steps in activation of surface oxygen sites on Ir nanocrystals for oxygen evolution reaction in acidic media | Kim, Myeongjin; Park, Jinho; Wang, Maoyu; Wang, Qingxiao; Kim, Moon J.; Kim, Jin Young; Cho, Hyun-Seok; Kim, Chang-Hee; Feng, Zhenxing; Kim, Byung-Hyun; Lee, Seung Woo |
| 2022-11 | Directing the Surface Atomic Geometry on Copper Sulfide for Enhanced Electrochemical Nitrogen Reduction | Jin Haneul; Hee Soo Kim; Lee, Chi Ho; Hong, Yongju; CHOI, JIHYUN; Baik, Hionsuck; Lee, Sang Uck; Yoo, Sung Jong; Lee, Kwangyeol; Park, Hyun S. |
| 2022-03 | Multiscale simulation approach to investigate the binder distribution in catalyst layers of high-temperature polymer electrolyte membrane fuel cells | Kwon, Sung Hyun; Lee, So Young; Kim, Hyoung Juhn; Yim, Sung-Dae; Sohn, Young-Jun; Lee, Seung Geol |
| 2022-06 | Elucidating the origin of chiroptical activity in chiral 2D perovskites through nano-confined growth | Ma Sunihl; Jung Young-Kwang; Ahn Jihoon; Kyhm Jihoon; Tan Jeiwan; Lee Hyungsoo; Jang Gyumin; Lee Chan Uk; Walsh Aron; Moon Jooho |
| 2022-10 | Theoretical Study of Oxygen Reduction Reaction Mechanism in Metal-Free Carbon Materials: Defects, Structural Flexibility, and Chemical Reaction | Choi, Keunsu; Kim, Seungchul |
