Scholarworks@UNIST: Browsing Repository

A First-Principles Study of Lithium Adsorption on a Graphene-Fullerene Nanohybrid System File

Koh, Wonsang , Moon, Hye Sook , Lee, Seung Geol , Choi, Ji Ii , Jang, Seung Soon

Article Issue Date2015-03 View197

Ab initio study of the effect of water adsorption on the carbon nanotube field-effect transistor File

Sung, Dongchul , Hong, Suklyun , Kim, Yong-Hoon , Park, Noejung , Kim, Sanghyeob , Maeng, Sung Lyul , Kim, Ki-Chul

Article Issue Date2006-12 View200

Acid-Stable Cu Cluster Precatalysts Enable High Energy and Carbon Efficiency in CO2 Electroreduction File

Kim, Dongha , Park, Sungjin , Lee, Junwoo , Chen, Yiqing , Li, Feng , Kim, Jiheon , Bai, Yang , Huang, Jianan Erick , Liu, Shijie , Jung, Eui Dae , et al

Article Issue Date2024-09 View13

Active Methanol Oxidation Reaction by Enhanced CO Tolerance on Bimetallic Pt/Ir Electrocatalysts Using Electronic and Bifunctional Effects File

Kwon, Soonchul , Ham, Dong Jin , Kim, Taeyoon , Kwon, Yongju , Lee, Seung Geol , Cho, Min

Article Issue Date2018-11 View157

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 View176

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 View184

Amorphous Carbon Monolayer: A van der Waals Interface for High-Performance Metal Oxide Semiconductor Devices File

Akkili, Viswanath G. , Yoon, Jongchan , Shin, Kihyun , Jeong, Sanghyun , Moon, Ji-Yun , Choi, Jun-Hui , Kim, Seung-Il , Patil, Ashish A. , Aziadzo, Frederick , Kim, Jeongbeen , et al

Article Issue Date2025-01 View155

An Ultrasensitive, Visco-Poroelastic Artificial Mechanotransducer Skin Inspired by Piezo2 Protein in Mammalian Merkel Cells File

Jin, Ming Liang , Park, Sangsik , Lee, Younghoon , Lee, Ji Hye , Chung, Junho , Kim, Joo Sung , Kim, Jong-Seon , Kim, So Young , Jee, Eunsong , Kim, Dae Woo , et al

Article Issue Date2017-04 View314

Calculating carbon nanotube-catalyst adhesion strengths File

Larsson, Peter , Larsson, J. Andreas , Ahuja, Rajeev , Ding, Feng , Yakobson, Boris I. , Duan, Haiming , Rosen, Arne , Bolton, Kim

Article Issue Date2007-03 View148

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

Density functional theory approach to CO2 adsorption on a spinel mineral: determination of binding coordination File

Moon, Hye Sook , Kwon, Soonchul , Kwon, Sung Hyun , Cho, Min , Seo, Jeong Gil , Lee, Seung Geol

Article Issue Date2016-03 View105

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 View122

Electron-rich π-extended phthalocyanine-thiophene-phthalocyanine triad for the sensitive and selective detection of picric acid File

Gupta, Ankush , Lee, Ji Hye , Seo, Jeong Hwa , Lee, Seung Geol , Park, Jong S.

Article Issue Date2015-08 View83

Electronic, magnetic and optical properties of reduced hybrid layered complex Ni(pyz)V4O10 (pyz=C4H4N2) by first-principles File

Munir, Junaid , Mat Isa, Ahmad Radzi , Yousaf, Massod , Aliabad, H.A. Rahnamaye , Ain, Qurat-ul , Saeed, M.A.

Article Issue Date2016-10 View132

Enhanced H2 dissociative phenomena of Pt–Ir electrocatalysts for PEMFCs: an integrated experimental and theoretical study File

Kwon, Soonchul , Ham, Dong Jin , Lee, Seung Geol

Article Issue Date2015-06 View108

First principles study of Ir3Ru, IrRu and IrRu3 catalysts for hydrogen oxidation reaction: Effect of surface modification and ruthenium content File

Lile, Jeffrey Roshan De , Bahadoran, Ashkan , Liu, Qinglei , Lee, Seung Woo , Pak, Chanho , Zhang, Jiujun , Lee, Seung Geol

Article Issue Date2021-04 View125

First-principles study of Li adsorption in a carbon nanotube-fullerene hybrid system File

Koh, Wonsang , Choi, Ji I. , Lee, Seung Geol , Lee, Wang R. , Jang, Seung Soon

Article Issue Date2011-01 View112

First-principles study of the effect of compressive strain on oxygen adsorption in Pd/Ni/Cu-alloy-core@Pd/Ir-alloy-shell catalysts File

De Lile, Jeffrey Roshan , Lee, So Young , Kim, Hyoung-Juhn , Pak, Chanho , Lee, Seung Geol

Article Issue Date2019-06 View129

Growth of diamond in liquid metal at 1 atm pressure File

Gong, Yan , Luo, Da , Choe, Myeonggi , Kim, Yongchul , Ram, Babu , Zafari, Mohammad , Seong, Won Kyung , Bakharev, Pavel , Wang, Meihui , Park, In Kee , et al

Article Issue Date2024-05 View192

Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study File File

Kwon, Soonchul , Lee, Seung Geol

Article Issue Date2015-09 View129

Influence of Sulfonic Acid Group on Sulfonated Polyethersulfone Membrane for PEM Fuel Cell: A First-Principles Study File

Kwon, Soonchul , Yang, Yooseong , Lee, Seung Geol

Article Issue Date2015-08 View101

Interactions of Pt nanoparticles with molecular components in polymer electrolyte membrane fuel cells: multi-scale modeling approach File

Brunello, Giuseppe F. , Lee, Ji Hye , Lee, Seung Geol , Choi, Ji Il , Harvey, David , Jang, Seung Soon

Article Issue Date2016-07 View149

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 View120

Investigations of the band structures of edge-defect zigzag graphene nanoribbons using density functional theory File

Moon, Hye Sook , Yun, Je Moon , Kim, Kwang Ho , Jang, Seung Soon , Lee, Seung Geol

Article Issue Date2016-04 View107

Large Scale Synthesis and Light Emitting Fibers of Tailor-Made Graphene Quantum Dots File File

Park, Hun , Noh, Sung Hyun , Lee, Ji Hye , Lee, Won Jun , Jaung, Jae Yun , Lee, Seung Geol , Han, Tae Hee

Article Issue Date2015-09 View133

Li adsorption on a Fullerene-Single wall carbon nanotube hybrid system: Density functional theory approach File

Koh, Wonsang , Choi, Ji Ii , Jeong, Euigyung , Lee, Seung Geol , Jang, Seung Soon

Article Issue Date2014-12 View131

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 View152

Mechanism of Li Adsorption on Carbon Nanotube-Fullerene Hybrid System: A First-Principles Study File

Koh, Wonsang , Choi, Ji Il , Donaher, Kevin , Lee, Seung Geol , Jang, Seung Soon

Article Issue Date2011-04 View95

Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach File File

Moon, Hye Sook , Lee, Ji Hye , Kwon, Soonchul , Kim, Il Tae , Lee, Seung Geol

Article Issue Date2015-04 View252

Molecular Tethering or Aggregation: Is the Existence of Charge-Transfer Bands Indicative of the Formation of Blue-Box/Tetrathiafulvalene Inclusion Complexes? File

Tejerina, Baudilio , Gothard, Chris M. , Grzybowski, Bartosz A.

Article Issue Date2012-04 View108

Relationship between hydrogen binding energy and activity for hydrogen evolution reaction by palladium supported on sulfur-doped ordered mesoporous carbon File

Kim, Jong Gyeong , Lee, Bongho , Pham, Nguyet N. T. , Lee, Seung Geol , Pak, Chanho

Article Issue Date2020-09 View129

Role of surface fluorine in improving the electrochemical properties of Fe/MWCNT electrodes File

Jeong, Euigyung , Jung, Min-Jung , Lee, Seung Geol , Kim, Hyeong Gi , Lee, Young-Seak

Article Issue Date2016-11 View118

Ruthenium Core-Shell Engineering with Nickel Single Atoms for Selective Oxygen Evolution via Nondestructive Mechanism File

Harzandi, Ahmad M. , Shadman, Sahar , Nissimagoudar, Arun S. , Kim, Dong Yeon , Lim, Hee-Dae , Lee, Jong Hoon , Kim, Min Gyu , Jeong, Hu Young , Kim, Youngsik , Kim, Kwang S.

Article Issue Date2021-03 View188

Structural, elastic, electronic, bonding, and optical properties of BeAZ(2) (A = Si, Ge, Sn; Z = P, As) chalcopyrites File

Fahad, Shah , Murtaza, G. , Ouahrani, T. , Khenata, R. , Yousaf, Masood , Omran, S. Bin , Mohammad, Saleh

Article Issue Date2015-10 View78

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 View147

The importance of strong carbon-metal adhesion for catalytic nucleation of single-walled carbon nanotubes File

Ding, Feng , Larsson, Peter , Larsson, J. Andreas , Ahuja, Rajeev , Duan, Haiming , Rosen, Arne , Bolton, Kim

Article Issue Date2008-02 View116

Scholarworks@UNIST

Browsing by Keyword : GENERALIZED GRADIENT APPROXIMATION

UNIST | Library