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Adsorption mechanisms of lithium oxides (LixO2) on a graphene-based electrode: A density functional theory approach File

Lee, Ji Hye , Kang, Sung Gu , Moon, Hye Sook , Park, Hyun , Kim, Ii Tae , Lee, Seung Geol

Article Issue Date2015-10 View171

Adsorption mechanisms of lithium oxides (LixO2) on N-doped graphene: a density functional theory study with implications for lithium–air batteries File

Lee, Ji Hye , Kang, Sung Gu , Kim, Il Tae , Kwon, Soonchul , Lee, Inwon , Lee, Seung Geol

Article Issue Date2016-03 View180

Catalytic activity of Ni3Mo surfaces for hydrogen evolution reaction: A density functional theory approach File

Pham, Nguyet N. T. , Kang, Sung Gu , Kim, Hyoung-Juhn , Pak, Chanho , Han, Byungchan , Lee, Seung Geol

Article Issue Date2021-01 View215

Catalytic performance of graphene quantum dot supported manganese phthalocyanine for efficient oxygen reduction: density functional theory approach File

Pham, Nguyet N. T. , Park, Jong S. , Kim, Hee-Tak , Kim, Hyoung-Juhn , Son, Young-A , Kang, Sung Gu , Lee, Seung Geol

Article Issue Date2019-01 View152

Coordinated Molecule-Modulated Magnetic Phase with Metamagnetism in Metal-Organic Frameworks File

Son, Kwanghyo , Kim, Jin Yeong , Schütz, Gisela , Kang, Sung Gu , Moon, Hoi Ri , Oh, Hyunchul

Article Issue Date2019-07 View77

Coordinatively unsaturated atomically dispersed Pt+2-N4 sites on hexagonal nanosheet structure of g-C3N4 for high-performance photocatalytic H2 production File

Mahvelati-Shamsabadi, Tahereh , Bhamu, Kailash Chandra , Lee, Seong-hun , Dang, Thanh Truong , Khoi, Vu Hoang , Hur, Seung Hyun , Choi, Won Mook , Kang, Sung Gu , Shin, Tae Joo , Chung, Jin Suk

Article Issue Date2023-11 View153

Do HOMO-LUMO Energy Levels and Band Gaps Provide Sufficient Understanding of Dye-Sensitizer Activity Trends for Water Purification? File File

De Lile, Jeffrey Roshan , Kang, Sung Gu , Son, Young-A , Lee, Seung Geol

Article Issue Date2020-06 View114

Electrochemical Oxygen-Reduction Activity and Carbon Monoxide Tolerance of Iron Phthalocyanine Functionalized with Graphene Quantum Dots: A Density Functional Theory Approach File

Pham, Nguyet N. T. , Kang, Sung Gu , Son, Young-A , Lee, So Young , Kim, Hyoung-Juhn , Lee, Seung Geol

Article Issue Date2019-11 View122

Exploiting Diffusion Barrier and Chemical Affinity of Metal-Organic Frameworks for Efficient Hydrogen Isotope Separation File

Kim, Jin Yeong , Balderas-Xicohténcatl, Rafael , Zhang, Linda , Kang, Sung Gu , Hirscher, Michael , Oh, Hyunchul , Moon, Hoi Ri

Article Issue Date2017-10 View97

Exploiting the Specific Isotope-Selective Adsorption of Metal-Organic Framework for Hydrogen Isotope Separation File

Muhammad, Raeesh , Jee, Seohyeon , Jung, Minji , Park, Jaewoo , Kang, Sung Gu , Choi, Kyung Min , Oh, Hyunchul

Article Issue Date2021-06 View99

Exploring two-dimensional carbides as highly active catalysts for the oxygen reduction reaction: A density functional theory approach File

Guo, Hengquan , Kang, Sung Gu , Lee, Seung Geol

Article Issue Date2022-10 View168

First-principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM-promoted TiC2 (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au) File

Guo, Hengquan , Kang, Sung Gu , Lee, Seung Geol

Article Issue Date2023-04 View126

Investigating Polaron Formation in Anatase and Brookite TiO2 by Density Functional Theory with Hybrid-Functional and DFT + U Methods File File

De Lile, Jeffrey Roshan , Kang, Sung Gu , Son, Young-A , Lee, Seung Geol

Article Issue Date2019-05 View118

Mechanism of adhesion of the diglycidyl ether of bisphenol A (DGEBA) to the Fe(100) surface File

Lee, Ji Hye , Kang, Sung Gu , Choe, Youngson , Lee, Seung Geol

Article Issue Date2016-04 View150

MgO-based composites for high pressure CO2 capture: A first-principles theoretical and experimental investigation File

Kwon, Sung Hyun , Hiremath, Vishwanath , Nanoti, Anshu , Kang, Sung Gu , Seo, Jeong Gil , Lee, Seung Geol

Article Issue Date2023-12 View112

Novel Graphene Hydrogel/B-Doped Graphene Quantum Dots Composites as Trifunctional Electrocatalysts for Zn-Air Batteries and Overall Water Splitting File

Tran Van Tam , Kang, Sung Gu , Kim, Mun Ho , Lee, Seung Geol , Hur, Seung Hyun , Chung, Jin Suk , Choi, Won Mook

Article Issue Date2019-07 View124

Screening single/dual-atom oxidation of ammonia electrocatalysts on sulfur functionalized MXene: A first-principles approach File

Guo, Hengquan , Kang, Sung Gu , Lee, Seung Geol

Article Issue Date2025-06 View87

Specific Isotope-Responsive Breathing Transition in Flexible Metal-Organic Frameworks File

Kim, Jin Yeong , Park, Jaewoo , Ha, Junsu , Jung, Minji , Wallacher, Dirk , Franz, Alexandra , Balderas-Xicohtencatl, Rafael , Hirscher, Michael , Kang, Sung Gu , Park, Jitae T. , et al

Article Issue Date2020-08 View83

Synthesis of B-doped graphene quantum dots as a metal-free electrocatalyst for the oxygen reduction reaction File

Van Tam, Tran , Kang, Sung Gu , Babu, Kadumudi Firoz , Oh, Eun-Suok , Lee, Seung Geol , Choi, Won Mook

Article Issue Date2017-06 View143

Thermally regulated gating phenomenon in bio-derived ultra-narrow nanoporous carbon for enhancing hydrogen isotope separation File

Jung, Minji , Park, Jaewoo , Zhou, Jingwen , Park, Taeung , Nah, Yoon-Chae , ElAshery, Sally E.A. , Kang, Sung Gu , Attia, Nour F. , Muhammad, Raeesh , Oh, Hyunchul

Article Issue Date2025-02 View103

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