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Issue DateTitleAuthor(s)
2024-04Metastable atomic-ordered configurations for Al1/2Ga1/2N predicted by Monte-Carlo method based on first-principles calculationsGueriba, Jessiel Siaron; Mizuseki, Hiroshi; Cadatal-Raduban, Marilou; Sarukura, Nobuhiko; Kawazoe, Yoshiyuki; Nagasawa, Yosuke; Hirano, Akira; Amano, Hiroshi
2023-04Enhancing the interfacial stability of all-solid-state high-energy sodium-ion batteries by coating materials: First principles calculationsChun, Gin Hyung; GONG, SANG HYUK; Kim, Hyung seok; Shim, Joon Hyung; Yu, Seungho
2023-01Single process of pulsed wire discharge for defect healing and reduction of graphene oxideLee, Wonki; Nam, Jungtae; Park, Jaejun; Lee, Geonhee; Ahn, Seok hoon; Kim, Keun Soo; Lee, Jeong-O; Choi, Chel-Jong; Hwang, Jun Yeon
2023-01Enhanced Thermoelectric Performance by Resonant Doping and Embedded Magnetic ImpurityKim, Sujin; Hwang, Junphil; You, Tae-Soo; Yeon, Seongbeom; Kim, Jungwon; Yu, Byung-Kyu; Han, Mi-Kyung; Lee, Minju; Acharya, Somnath; Kim, Jiyong; Kim, Woochul; Kim, Sung-Jin
2022-03Drug delivery of paracetamol by metal-organic frameworks (HKUST-1): improvised synthesis and investigationsGautam, S.; Singhal, J.; Lee, H. K.; Chae, K. H.
2024-02Alkali to alkaline earth metals: a DFT study of monolayer TiSi2N4 for metal ion batteriesAhmad, Sheraz; Din, Haleem Ud; Nguyen, Cuong Q.; Nguyen, Son-Tung; Nguyen, C.
2023-11Structure-Guided Protein Engineering of Glyceraldehyde-3-phosphate Dehydrogenase from Corynebacterium glutamicum for Dual NAD/NADP Cofactor SpecificitySon, Hyeoncheol Francis; Yu, Hyeonjeong; Hong, Jiyeon; Lee, Donghoon; Kim, Il-Kwon; Kim, Kyung-Jin
2024-02WS2-Graphene van der Waals Heterostructure as Promising Anode Material for Lithium-Ion Batteries: A First-Principles ApproachBijoy, T. K.; Sudhakaran, Sooryadas; Lee, Seung-Cheol
2023-06Formation energy crossings in Ga2O3-Al2O3 quasibinary system: ordered structures and phase transitions in (Al (x) Ga1-x )(2)O-3Gueriba, Jessiel Siaron; Mizuseki, Hiroshi; Empizo, Melvin John F.; Yamanoi, Kohei; Sarukura, Nobuhiko; Tamiya, Eiichi; Kawazoe, Yoshiyuki; Akaiwa, Kazuaki; Takahashi, Isao; Yoshikawa, Akira
2021-07-21Atomistic origin of compositional pulling effect in wurtzite (B, Al, In)(x)Ga1-xN: A first-principles studyMizuseki, Hiroshi; Gueriba, Jessiel Siaron; Empizo, Melvin John F.; Sarukura, Nobuhiko; Kawazoe, Yoshiyuki; Ohkawa, Kazuhiro

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