한국과학기술연구원 계산과학연구센터

PUBLICATIONS

Structural Evolution of Graphene in Air at the Electrical Breakdown Limit

Jangyup Son, Minkyung Choi, Heechae Choi, Sang Jin Kim, Seungchul Kim, Kwang-Ryeol Lee, Sanpon Vantasin, Ichiro Tanabe, Jongin Cha, Yukihiro Ozaki, Byung Hee Hong, In-Sang Yang, Jongill Hong

Journal : Carbon
Vol. : 99
Page : 466-471
Year : 2016

High-Throughput Screening to Investigate the Relationship Between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation

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

Journal : Journal of Physical Chemistry C
Vol. : 120
Page : 24224-24230
Year : 2016

Oxygen Reduction Electrocatalysts Based on Coupled Iron Nitride Nanoparticles with Nitrogen-Doped Carbon

M. J. Park, J. H. Lee, K. P. S. S. Hembram, K.-R. Lee, S. S. Han, C. W. Yoon, S.-W. Nam, and J. Y. Kim

Journal : Catalysts
Vol. : 6
Page : 86
Year : 2016

Simultaneously Controllable Doping Sites and the Activity of a W-N Co-Doped TiO2 Photocatalyst

H. Choi, D. Shin, B. C. Yeo, T. Song, S. S. Han, N. Park, and S. Kim

Journal : ACS Catalysis
Vol. : 6
Page : 2745-2753
Year : 2016

Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M2(dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy

G. Y. Yoo, W. R. Lee, H. Jo, J. Park, J. H. Song, K. S. Lim, D. Moon, J. Lim, S. S. Han, Y. Jung, and C. S. Hong

Journal : Chemistry-A European Jounral
Vol. : 22
Page : 7444-7451
Year : 2016

Thermostable Artificial Solid-Electrolyte Interface Layer Covalently Linked to Graphite for Lithium Ion Battery: Molecular Dynamics Simulations

H. Guk, D. Kim, S.-H. Choi, D. H. Chung, and S. S. Han

Journal : Journal of Electrochemical Society
Vol. : 163
Page : A917-A922
Year : 2016

Solid-Solution Alloying of Immiscible Metals at the Nanoscale: Ir and Au

S. H. Park, H. M. Park, S. S. Han, S. Y. Han, and J. Y. Song

Journal : RSC Advances
Vol. : 6
Page : 3210-3212
Year : 2016

Development of the ReaxFFCBN Reactive Force Field for the Improved Design of Liquid CBN Hydrogen Storage Materials

S. J. Pai, B. C. Yeo, and S. S. Han

Journal : Physical Chemistry Chemical Physics
Vol. : 18
Page : 1818-1827
Year : 2016

Chromate Adsorption Mechanism on Nanodiamond-derived Onion-like Carbon

Young-Jin Ko, Keunsu Choi, Soonjae Lee, Jung-Min Cho, Heon-Jin Choi, Seok Won Hong, Jae-Woo Choi, H. Mizuseki, and Wook-Seong Lee

Journal : J. Hazard. Mater
Vol. : 320
Page : 368-375
Year : 2016

주소 : 서울시 성북구 화랑로 14길 5 한국과학기술연구원 L0227