CMSL

Computational Materials Science Laboratory

Hyun You Kim's Group

Publications

2010

Ji Hoon Ryu, Hyun You Kim, Da Hye Kim, and Hyuck Mo Lee*

Immobilization of Au Nanoclusters Supported on Graphite: Molecular Dynamics Simulations

Journal of Physical Chemistry C, 114, 2022 (2010)

Youngdong Yoo, Kwanyong Seo, Sol Han, Kumar S. K. Varadwaj, Hyun You Kim, Ji Hoon Ryu, Hyuck Mo Lee, Jae Pyoung Ahn, Hyotcherl Ihee, and Bongsoo Kim*

Steering Epitaxial Alignment of Au, Pd, and AuPd Nanowire Arrays by Atom Flux Change

Nano Letters, 10, 432 (2010)

Hyun You Kim , Hyuck Mo Lee, and Horia Metiu*

Oxidative Dehydrogenation of Methanol to Formaldehyde by a Vanadium Oxide Cluster Supported on Rutile TiO2(110): Which Oxygen is Involved?

Journal of Physical Chemistry C, 114, 13736 (2010)

Hyun You Kim, Hyuck Mo Lee, and Jung-Nam Park*

Bifunctional Mechanism of CO2 Methanation on Pd-MgO/SiO2 Catalyst: Independent Roles of MgO and Pd on CO2 Methanation

Journal of Physical Chemistry C, 114, 7128 (2010)

Hyun You Kim, Sang Soo Han, Ji Hoon Ryu, and Hyuck Mo Lee*

Balance in Adsorption Energy of Reactants Steers CO Oxidation Mechanism of Ag13 and Ag12Pd1 Nanoparticles: Association Mechanism versus Carbonate-Mediated Mechanism

Journal of Physical Chemistry C, 114, 3156 (2010)

2009

Moon Gi Cho, Hyun You Kim, Sun-Kyung Seo, and Hyuck Mo Lee*

Enhancement of Heterogeneous Nucleation of b-Sn Phases in Sn-rich solders by Adding Minor Alloying Elements with Hexagonal Closed Packed Structures

Applied Physics Letters, 95, 021905 (2009)

Da Hye Kim, Hyun You Kim, Ji Hoon Ryu and Hyuck Mo Lee*

Phase Diagram of Ag-Pd Bimetallic Nanoclusters by Molecular Dynamics Simulations: Solid-to-Liquid Transition and Size-dependent Behavior

Physical Chemistry Chemical Physics, 11, 5079 (2009)

Dong Hwa Seo, Hyun You Kim, Ji Hoon Ryu, and Hyuck Mo Lee*

Molecular Dynamics Simulation of the Diffusion of Au and Pt Nanoclusters on Carbon Nanotubes

Journal of Physical Chemistry C, 113, 10416 (2009)

Ji Hoon Ryu, Hyun You Kim, Da Hye Kim, Si Kyung Choi, and Hyuck Mo Lee*

Segregation and Internal Structures in the Bimetallic Clusters: Density Functional Theory and Molecular Dynamics Simulation

Journal of Nanoscience and Nanotechnology, 9, 2553 (2009)

Hyun You Kim, Hyuck Mo Lee, Raj Ganesh S. Pala, and Horia Metiu*

Oxidative Dehydrogenation of Methanol to Formaldehyde by Isolated Vanadium, Molybdenum, and Chromium Oxide Clusters Supported on Rutile TiO2(110)

Journal of Physical Chemistry C, 113, 16083 (2009)

Hyun You Kim, Da Hye Kim, Ji Hoon Ryu, and Hyuck Mo Lee*

Design of Robust and Reactive Nanoparticles with Atomic Precision: 13Ag-Ih and 12Ag-1X (X=Pd, Pt, Au, Ni, or Cu) Core-Shell Nanoparticles

Journal of Physical Chemistry C, 113, 15559 (2009)

2008

Da Hye Kim, Hyun You Kim, Hyoung Gyu Kim, Ji Hoon Ryu, and Hyuck Mo Lee*

The Solid-to-Liquid Transition Region of an Ag–Pd Bimetallic Nanocluster

Journal of Physics-Condensed Matter, 20, 035208 (2008)

Hyun You Kim, Hyoung Gyu Kim, Da Hye Kim, and Hyuck Mo Lee*

Overstabilization of the Meta-Stable Structure of Isolated Ag-Pd Bimetallic Clusters

Journal of Physical Chemistry C, 112, 17138 (2008)

Hyun You Kim, Hyuck Mo Lee, Raj Ganesh S. Pala, Vladimir Shapovalov, and Horia Metiu*

CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn

Journal of Physical Chemistry C, 112, 12398 (2008)

2007

Hyun You Kim, Hyoung Gyu Kim, Ji Hoon Ryu, and Hyuck Mo Lee*

Preferential Segregation of Pd Atoms in the Ag-Pd Bimetallic Cluster: Density Functional Theory and Molecular Dynamics Simulation

Physical Review B, 75, 212105 (2007)

Hyun You Kim, Sung Hoon Lee, Hyoung Gyu Kim, Ji Hoon Ryu, and Hyuck Mo Lee*

Molecular Dynamic Simulation of Coalescence between Silver and Palladium Clusters

Materials Transaction, 48, 455 (2007)

2006

Hyun You Kim, Tae Young Park, Sang Won Han*, and Hyuck Mo Lee

Effects of Mn on the Crystal Structure of a-Al(Mn,Fe)Si Particles in A356 Alloys

Journal of Crystal Growth, 291, 207 (2006)

Hyun You Kim, Sang Won Han*, and Hyuck Mo Lee

The Influence of Mn and Cr on the Tensile Properties of A356-0.2Fe Alloy

Materials Letters, 60, 1880 (2006)