Scholarworks@UNIST: Browsing Repository

Achieving ferromagnetic insulating properties in La0.9Ba0.1MnO3 thin films through nanoengineering File File

Yun, Chao , Choi, Eun-Mi , Li, Weiwei , Sun, Xing , Maity, Tuhin , Wu, Rui , Jian, Jie , Xue, Sichuang , Cho, Seungho , Wang, Haiyan , et al

Article Issue Date2020-04 View109

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 View169

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 View179

Al-Doping Driven Suppression of Capacity and Voltage Fadings in 4d-Element Containing Li-Ion-Battery Cathode Materials: Machine Learning and Density Functional Theory File

Ha, Miran , Hajibabaei, Amir , Kim, Dong Yeon , Singh, Aditya Narayan , Yun, Jeonghun , Myung, Chang Woo , Kim, Kwang S.

Article Issue Date2022-08 View204

Analysis of crystalline phases and integration modelling of charge quenching yields in hybrid lead halide perovskite solar cell materials File

Park, Byung-Wook , Zhang, Xiaoliang , Johansson, Erik M.J. , Hagfeldt, Andres , Boschloo. Gerrit , Seok, Sang Il , Edvinsson, Tomas

Article Issue Date2017-10 View236

Auxeticity of monolayer, few-layer, vdW heterostructure and ribbon penta-graphene File

Ho, Viet Hung , Ho, Duc Tam , Shin, Won Ho , Kim, Sung Youb

Article Issue Date2023-02 View229

Cesium Ion-Mediated Microporous Carbon for CO2 Capture and Lithium-Ion Storage File

Lee, Hyeon Jeong , Ko, Dongah , Kim, Joo-Seong , Park, Youngbin , Hwang, Insu , Yavuz, Cafer T. , Choi, Jang Wook

Article Issue Date2021-02 View106

Challenges in hydrogen adsorptions: from physisorption to chemisorption File

Ding, Feng , Yakobson, Boris I.

Article Issue Date2011-06 View222

Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives File

Myung, Chang Woo , Hajibabaei, Amir , Cha, Ji-Hyun , Ha, Miran , Kim, Junu , Kim, Kwang S.

Article Issue Date2022-12 View189

Distinct hydrophobic-hydrophilic dual interactions occurring in the clathrate hydrates of 3,3-dimethyl-1-butanol with help gases File

Moon, Seokyoon , Park, Sung O. , Ahn, Yun-Ho , Kim, Heejoong , Shin, Eunhye , Hong, Sujin , Lee, Yunseok , Kwak, Sang Kyu , Park, Youngjune

Article Issue Date2018-09 View170

Effect of oxidation on mechanical properties of Ni/Cu interface: A density functional theory study File

Park, Soon-Dong , Kim, Daeyong , Kim, Sung Youb

Article Issue Date2022-12 View177

Efficient, stable solar cells by using inherent bandgap of alpha-phase formamidinium lead iodide File

Min, Hanul , Kim, Maengsuk , Lee, Seung-Un , Kim, Hyeonwoo , Kim, Gwisu , Choi, Keunsu , Lee, Jun Hee , Seok, Sang Il

Article Issue Date2019-11 View188

Evidence of Zintl Intermediate Phase and Its Impacts on Li and Na Storage Performance of Pb-Based Alloying Anodes File

Park, Jehee , Han, Jinhyup , Gim, Jihyeon , Garcia, Juan , Iddir, Hakim , Ahmed, Shabbir , Xu, Gui-Liang , Amine, Khalil , Johnson, Christopher , Jung, Youngjae , et al

Article Issue Date2023-06 View106

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 View117

Hierarchical surface atomic structure of a manganese-based spinel cathode for lithium-ion batteries File

Lee, Sanghan , Yoon, Gabin , Jeong, Minseul , Lee, Min-Joon , Kang, Kisuk , Cho, Jaephil

Article Issue Date2015-01 View185

High-Power Hybrid Solid-State Lithium-Metal Batteries Enabled by Preferred Directional Lithium Growth Mechanism File File

Kim, Sewon , Yoon, Gabin , Jung, Sung-Kyun , Park, SeonTae , Kim, Ju-Sik , Yoon, Kyungho , Lee, Sunyoung , Kang, Kisuk

Article Issue Date2023-01 View153

Hydrogen physisorption based on the dissociative hydrogen chemisorption at the sulphur vacancy of MoS2 surface File File

Han, Sang Wook , Cha, Gi-Beom , Park, Youngsin , Hong, S. C.

Article Issue Date2017-08 View107

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 View124

Li adsorption on a graphene-fullerene nanobud system: density functional theory approach File

Koh, Wonsang , Lee, Ji Hye , Lee, Seung Geol , Choi, Ji Il , Jang, Seung Soon

Article Issue Date2015-03 View106

Machine learning-guided discovery of thermodynamically stable single-atom catalysts on functionalized MXenes for enhanced oxygen reduction and evolution reactions File

Guo, Hengquan , Lee, Seung Geol

Article Issue Date2025-07 View75

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 View239

Off-Stoichiometry Induced Few-Nanometer Surface Layer for High-Performance Layered Cathode in Nonaqueous and Aqueous Electrolytes File

Lee, Hyeon Jeong , Lee, Ji Hoon , Son, In Hyuk , Han, Sangil , Byeon, Pilgyu , Park, Min-Sik , Chung, Sung-Yoon , Choi, Jang Wook

Article Issue Date2018-10 View88

Pd core-shell alloy catalysts for high-temperature polymer electrolyte membrane fuel cells: Effect of the core composition on the activity towards oxygen reduction reactions File

You, Dae Jong , Kim, Do Hyung , Lile, Jeffrey Roshan De , Li, Chengbin , Lee, Seung Geol , Kim, Ji Man , Pak, Chanho

Article Issue Date2018-07 View121

Polymorphism and phase transformations of Li2-xFeSiO4 (0 <= x <= 2) from first principles File

Seo, Dong-Hwa , Kim, Hyungsub , Park, Inchul , Hong, Jihyun , Kang, Kisuk

Article Issue Date2011-12 View95

Room-temperature relaxor ferroelectricity and photovoltaic effects in tin titanate directly deposited on a silicon substrate File

Agarwal, Radhe , Sharma, Yogesh , Chang, Siliang , Pitike, Krishna C. , Sohn, Changhee , Nakhmanson, Serge M. , Takoudis, Christos G. , Lee, Ho Nyung , Tonelli, Rachel , Gardner, Jonathan , et al

Article Issue Date2018-02 View97

Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study File File

Rajkamal, A , Kumar, E. Mathan , Kathirvel, V. , Park, Noejung , Thapa, Ranjit

Article Issue Date2016-11 View73

Sparse Gaussian process based machine learning first principles potentials for materials simulations: Application to batteries, solar cells, catalysts, and macromolecular systems File

Yoo, Soohaeng , Hajibabaei, Amir , Ha, Miran , Yang, David ChangMo , Myung, Chang Woo , Min, Seung Kyu , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2024-12 View147

Surface Mn Oxidation State Controlled Spinel LiMn2O4 as a Cathode Material for High-Energy Li-Ion Batteries File

Jeong, Minseul , Lee, Min-Joon , Cho, Jaephil , Lee, Sanghan

Article Issue Date2015-07 View139

The transition metal surface dependent methane decomposition in graphene chemical vapor deposition growth File

Wang, Xinlan , Yuan, Qinghong , Li, Jia , Ding, Feng

Article Issue Date2017-08 View129

Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes File

Hajibabaei, Amir , Kim, Kwang S.

Article Issue Date2021-08 View208

Unlocking the hidden chemical space in cubic-phase garnet solid electrolyte for efficient quasi-all-solid-state lithium batteries File File

Jung, Sung-Kyun , Gwon, Hyeokjo , Kim, Hyungsub , Yoon, Gabin , Shin, Dongki , Hong, Jihyun , Jung, Changhoon , Kim, Ju-Sik

Article Issue Date2022-12 View99

What are the active carbon species during graphene chemical vapor deposition growth? File

Shu, Haibo , Tao, Xiao-Ming , Ding, Feng

Article Issue Date2015 View97

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