Zobrazeno 1 - 10 of 31 pro vyhledávání: '"Won June, Kim"'
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Akademický článek
Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+U Methods
Autor: Won June Kim, Myung Hoon Han, Sébastien Lebègue, Eok Kyun Lee, Hyungjun Kim
Publikováno v: Frontiers in Chemistry, Vol 7 (2019)
To understand, and thereby rationally optimize photoactive interfaces, it is of great importance to elucidate the electronic structures and band alignments of these interfaces. For the first-principles investigation of these properties, conventional
Externí odkaz: https://doaj.org/article/064d6a9a900d49f9948cabb8b0d72b8e
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3
Electro-synthesis of Ammonia from Dilute Nitric Oxide on a Gas Diffusion Electrode
Autor: Jong-In Han, Youngkook Kwon, Won June Kim, Seonjeong Cheon, Dong Yeon Kim
Publikováno v: ACS Energy Letters. 7:958-965
The electrochemical conversion of nitric oxide (NO) to ammonia (NH3) provides a sustainable route to transform an air pollutant into a value-added chemical. However, the development of NO electroreduction remains hindered by the poor solubility in aq
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bb7d7e38d75008ecb96371de3ca6d8c1
https://doi.org/10.1021/acsenergylett.1c02552
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First principles investigations of the optical selectivity of titanium carbide-based materials for concentrating solar power applications
Autor: Won June Kim, Adel Mesbah, Samuel Bernard, Xavier Deschanels, Sébastien Lebègue
Publikováno v: Journal of Materials Chemistry C
Journal of Materials Chemistry C, Royal Society of Chemistry, 2021, 9 (24), pp.7591-7598. ⟨10.1039/d1tc01490k⟩
Journal of Materials Chemistry C, 2021, 9 (24), pp.7591-7598. ⟨10.1039/d1tc01490k⟩
To improve the efficiency of concentrated solar power devices and to reach a high conversion rate of the solar energy into heat, a rational design of new high temperature absorber materials is a challenge of prime importance. Ultra-high temperature c
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28573c744eeedff60eb3b67ed66b79e7
https://doi.org/10.1039/d1tc01490k
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7
Rotational Variance-Based Data Augmentation in 3D Graph Convolutional Network
Autor: Yeji Kim, Chong Hak Chae, Won June Kim, Jihoo Kim, Eok Kyun Lee, Kwangho Lee, Insung S. Choi
Publikováno v: Chemistry, an Asian journal. 16(18)
This work proposes the data augmentation by molecular rotation, with consideration that the protein-ligand binding events are rotation-variant. As a proof-of-concept, known active (i. e., 1-labeled) ligands to human β-secretase 1 (BACE-1) are rotate
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13c22eca1542c39198c003cd6e9de36f
https://pubmed.ncbi.nlm.nih.gov/34369653
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8
Assessment and prediction of band edge locations of nitrides using a self-consistent hybrid functional
Autor: Hyungjun Kim, Se-Jun Kim, Sébastien Lebègue, Won June Kim
Publikováno v: The Journal of chemical physics. 155(2)
Due to their optimal bandgap size and large defect tolerance, nitrides are becoming pivotal materials in several optoelectronic devices, photovoltaics, and photocatalysts. A computational method that can accurately predict their electronic structures
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e47d041f8cbfe5a04d328711bf20a952
https://pubmed.ncbi.nlm.nih.gov/34266276
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9
Lifshitz Transition and Non-Fermi Liquid Behavior in Highly Doped Semimetals
Autor: Young-Min Kim, Kyungrok Kang, Heejun Yang, Byungdo Ji, Suyeon Cho, Won June Kim, Dong Hoon Keum, Dohyun Kim, Sera Kim, Sébastien Lebègue
Publikováno v: Advanced materials (Deerfield Beach, Fla.). 33(1)
The classical Fermi liquid theory and Drude model have provided fundamental ways to understand the resistivity of most metals. The violation of the classical theory, known as non-Fermi liquid (NFL) transport, appears in certain metals, including topo
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8953277d37cca67fa5e4844997715a9
https://pubmed.ncbi.nlm.nih.gov/33241603
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Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations
Autor: Inna V. Filippova, Odile Barres, Michael Badawi, Mariachiara Pastore, Yann Foucaud, Lev Filippov, Juliette Lainé, Sébastien Lebègue, Won June Kim
Publikováno v: Journal of Colloid and Interface Science
Journal of Colloid and Interface Science, Elsevier, 2021, 583, pp.692-703. ⟨10.1016/j.jcis.2020.09.062⟩
Hypothesis The adsorption mechanisms of fatty acids on minerals are largely debated from years, and their understanding is now required to improve flotation processing in the critical context of raw materials. Three wavenumbers have been observed in
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::042d14ccea7d9cda28085f3d8cd8eb88
https://pubmed.ncbi.nlm.nih.gov/33039866
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