| 2014-01 |
Interfacial Properties in Ultrathin MgO Films on TiN(001) Surfaces: Ab-initio Calculations |
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
|
| 2013-11 |
Mitigation of CO poisoning on functionalized Pt-TiN surfaces |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2013-10 |
Early transition metal dopants in cuprous oxide: To spin or not to spin |
Current Applied Physics
|
| 2013-07 |
Polar oxide substrates for graphene growth: A first-principles investigation of graphene on MgO(111) |
Current Applied Physics
|
| 2013-06 |
Thermally Induced Desulfurization: Structural Transformation of Thiophene on the Si(100) Surface |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2013-05 |
Steam treatment on Ni/γ-Al2O3 for enhanced carbon resistance in combined steam and carbon dioxide reforming of methane |
APPLIED CATALYSIS B-ENVIRONMENTAL
|
| 2013-03 |
Adsorption and Surface Diffusion of Pt Atoms on Hydroxylated MgO(001) Surfaces |
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
|
| 2013-01 |
First-principles based phenomenological study of Ni nanocubes: The effects of nanostructuring on carbon poisoning of Ni(0 0 1) nanofacets |
APPLIED SURFACE SCIENCE
|
| 2012-12 |
The role of titanium nitride supports for single-atom platinum-based catalysts in fuel cell technology |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2012-10 |
The austenite/ε martensite interface: A first-principles investigation of the fcc Fe(1 1 1)/hcp Fe(0 0 0 1) system |
APPLIED SURFACE SCIENCE
|
| 2012-09 |
First principles study of 3d transition metal doped Cu3N |
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
|
| 2012-08 |
Size and dimension effect on volume plasmon energy of nanomaterials |
SOLID STATE COMMUNICATIONS
|
| 2012-08 |
Environment-dependent nanomorphology of TiN: The influence of surface vacancies |
NANOSCALE
|
| 2012-05 |
Ab-initio Study of Interactions of Gold Atoms with Hydroxylated MgO(001) Surfaces |
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
|
| 2012-01 |
Playing with Dimensions: Rational Design for Heteroepitaxial p-n Junctions |
NANO LETTERS
|
| 2012-01 |
A first-principles study of ultrathin nanofilms of MgO-supported TiN |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2010-05 |
Adsorption of 2-chlorophenol on Cu2O(111)-Cu-CUS: A first-principles density functional study |
Applied Surface Science
|
| 2010-02 |
Density functional study of oxygen on Cu(100) and Cu(110) surfaces |
PHYSICAL REVIEW B
|
| 2010-01 |
Comparison of hydrogen and deuterium adsorption on Pd(100) |
Journal of Chemical Physics
|
| 2009-10 |
Ab initio lattice dynamics and thermal expansion of Cu2O |
Physical Review B
|
| 2009-09 |
Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation |
Journal of Chemical Physics
|
| 2009-05 |
A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO |
Journal of Chemical Physics
|
| 2009-04 |
The Z-phase in 9-12% Cr ferritic steels: A phase stability analysis |
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
|
| 2009-02 |
Density Functional Theory Studies of Chloroethene Adsorption on Zerovalent Iron |
Environmental Science & Technology
|
| 2009-01 |
Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties of Cu2-delta O |
Physical Review B
|
| 2008-09 |
Aluminium adsorption on Ir(111) at a quarter monolayer coverage: A first-principles study |
APPLIED SURFACE SCIENCE
|
| 2008-07 |
Stability, structure, and electronic properties of chemisorbed oxygen and thin surface oxides on Ir(111) |
Physical Review B
|
| 2008-04 |
Bridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environment |
JOURNAL OF PHYSICS-CONDENSED MATTER
|
| 2008-03 |
Morphology of copper nanoparticles in a nitrogen atmosphere: A first-principles investigation |
Physical Review B
|
| 2007-12 |
Surface oxides of the oxygen-copper system: Precursors to the bulk oxide phase? |
SURFACE SCIENCE
|
| 2007-11 |
Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles |
SURFACE SCIENCE
|
| 2007-03 |
Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation |
PHYSICAL REVIEW B
|
| 2006-04 |
Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation |
PHYSICAL REVIEW B
|
| 2005-07 |
Carbon monoxide reaction with UO2(111) single crystal surfaces: A theoretical and experimental study |
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
|
| 2005-04 |
Plane-wave pseudopotential density functional theory periodic slab calculations of CO adsorption on Cu2O(111) surface |
SURFACE SCIENCE
|