PUBLICATIONS

15
Accelerated Data-driven Accurate Positioning of the Band Edges of Mxenes

Abanish Mishra, Swanti Satsangi, Arunkumar Chitteth Rajan, Hiroshi Mizuseki, Kwang-Ryeol Lee, Abhishek K. Singh

  • Journal : J. Chem. Phys. Lett.
  • Vol. : 10
  • Page : 780-785
  • Year : 2019
14
Transformation of Amorphous Carbon to Graphene on Low-index Ni Surfaces During Rapid Thermal Processing: a Reactive Molecular Dynamics Study

Xiaowei Li, Aiying Wang, Kwang-Ryeol Lee

  • Journal : Phys. Chem. Chem. Phys.
  • Vol. : 21
  • Page : 2271
  • Year : 2019
13
Tribo-induced Structural Transformation and Lubricant Dissociation at Amorphous Carbon-Alpha Olefin Interface

Xiaowei Li, Aiying Wang, Kwang-Ryeol Lee

  • Journal : Adv. Theo. Sim.
  • Vol. : 2
  • Page : 1800157
  • Year : 2019
12
Insights on Low-Friction Mechanism of Amorphous Carbon Films From Reactive Molecular Dynamics Study

Xiaowei Li, Aiying Wang, Kwang-Ryeol Lee

  • Journal : Trib. Int.
  • Vol. : 131
  • Page : 567
  • Year : 2019
11
Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction

B. C. Yeo, J. Kong, D. Kim, W. A. Goddard III, H. S. Park, and S. S. Han

  • Journal : Journal of Physical Chemistry C
  • Vol. : 123
  • Page : 31026-31031
  • Year : 2019
10
Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field

S. J. Pai, H. W. Lee, and S. S. Han

  • Journal : Journal of Physical Chemistry Letters
  • Vol. : 10
  • Page : 7293-7299
  • Year : 2019
9
Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H2O2 Synthesis

D. Kim, H. Nam, Y. H. Cho, B.C. Yeo, S.-H. Cho, J.-P. Ahn, K.-Y. Lee, S. Y. Lee, and S. S. Han

  • Journal : ACS Catalysis
  • Vol. : 9
  • Page : 8702-8711
  • Year : 2019
8
Pattern Learning Electronic Density of States

B. C. Yeo, D. Kim, C. Kim, and S. S. Han

  • Journal : Scientific Reports
  • Vol. : 9
  • Page : 5879
  • Year : 2019
7
Facile Control of Defect Site Density and Particle Size of UiO-66 for Enhanced Hydrolysis Rates: Insights into Feasibility of Zr(IV)-based Metal-Organic Framework (MOF) Catalysts

K. Y. Cho, J. Y. Seo, H.-J. Kim, S. J. Pai, X. H. Do, H. G. Yoon, S. S. Hwang, S. S. Han, and K.-Y. Baek

  • Journal : Applied Catalysis B: Environmental
  • Vol. : 245
  • Page : 635-647
  • Year : 2019
  • 주소 : 서울시 성북구 화랑로 14길 5 한국과학기술연구원 L0227

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