A5063175286- Catalytic Processes in Materials Science
- Electrocatalysts for Energy Conversion
- Catalysis and Oxidation Reactions
- ZnO doping and properties
- Advanced Photocatalysis Techniques
- Gas Sensing Nanomaterials and Sensors
- Nanomaterials for catalytic reactions
- Nanocluster Synthesis and Applications
- Molecular Junctions and Nanostructures
- Extraction and Separation Processes
- Supercapacitor Materials and Fabrication
- Graphene research and applications
- Thin-Film Transistor Technologies
- Nanowire Synthesis and Applications
- Metal Extraction and Bioleaching
- Advanced Nanomaterials in Catalysis
- Nonlocal and gradient elasticity in micro/nano structures
- Ga2O3 and related materials
- nanoparticles nucleation surface interactions
- Ferroelectric and Piezoelectric Materials
- Vibration Control and Rheological Fluids
- TiO2 Photocatalysis and Solar Cells
- Advanced Chemical Physics Studies
- Nanoparticles: synthesis and applications
- Advanced Memory and Neural Computing
Chungnam National University
2016-2020
Government of the Republic of Korea
2017-2020
Daejeon University
2017-2020
Catalytic supremacy of Pt-single atoms achieved by CeO<sub>x</sub>–TiO<sub>2</sub>interfaces.
In this study, we report a facile synthetic pathway to three-dimensional (3D) Pd nanosponge-shaped networks wrapped by graphene dots (Pd@G-NSs), which show superior electrocatalytic activity toward the hydrogen evolution reaction (HER) and exhibited excellent long-term stability in acidic media. Pd@G-NSs were synthesized simply mixing precursors, reducing agent, carbon (Cdots), Br– ion at 30 °C. Experimental results density functional theory (DFT) calculations suggested that ions played an...
Indium oxide (In2O3) thin films were deposited via thermal atomic layer deposition (ALD) to exploit their potential as semiconductors in thin-film transistors (TFTs), using a new liquid type indium complex precursor (In(CH3)3[CH3OCH2CH2NHtBu]). In2O3 successfully at lower temperatures and exhibited satisfactory growth rate (∼0.35 Å per cycle). In addition, we investigated the effect of temperature from 100 250 °C on microstructure chemical physical properties films. Interestingly, film had...
We use density functional theory calculations of Pt@Cu core@shell nanoparticles (NPs) to design bifunctional poison-free CO oxidation catalysts. By calculating the adsorption chemistry under conditions, we find that NPs will be active for with resistance CO-poisoning. The pathway at Pt–Cu interface is determined on Pt NP covered a full- and partial-shell Cu. exposed portion core preferentially binds Cu shell O2, supplying oxygen reaction. provides CO-oxidation sites are not poisoned by...
Understanding the reaction mechanism and nature of reactive species heterogeneous catalysts under conditions is first step in design more consistent, reliable, practical catalysts. We used density functional theory (DFT) calculations to study CO oxidation catalyzed by CeO2-supported Au nanoparticles (NPs) considering sequential adsorption onto saturation NPs. found that Au9 NPs supported CeO2(100) CeO2(111) bind as many eight or four molecules, respectively. The last-bound molecule opens...
The atomic-level process of CO-induced surface segregation Pd in Au–Pd bimetallic nanoparticles is studied through density functional theory calculations.
A graphene-wrapped 3D-PtNi nanosponge was synthesized using carbon dots as a structure-directing agent.
We design a novel method for the CH
Understanding the size-dependent oxygen affinity of small Au nanoparticles (NPs) and nanoclusters (NCs) is central to rational design oxidation catalysts. However, relevant complete experimental or computational information on intrinsic catalytic nature NPs/NCs scarce. Here, provide fundamental insights into size- coordination-dependent free-standing for reactions, we constructed unsupported Aun (n = 1–10, 13, 19, 20, 25, 38, 55) NCs scrutinized their oxygen-adsorption chemistry...
The activity increased with increasing Pd content and the resultant synergistic is can be precisely tuned by varying chemical composition.
We study the mechanism of alkane reduction SnO2 for efficient low-temperature recovery Sn from SnO2. Based on thermodynamic simulation results, we comparatively analyze behavior and efficiency by H2 alkanes (CxHy=2x+2, 0 ≤ x 4). found that (n·CxHy) with higher nx generally complete (T100) at lower temperature. Moreover, T100 was decreased pure hydrogen same amount atoms (n·Hy). concentration a gas phase product mixture, produced solid carbon, complementary vary as function ny, total carbon...
We explored the transfer of a single-layered graphene membrane assisted by substrate adhesion. A relatively larger adhesion force was measured on SiO2 compared with its van der Waals contribution, which is expected to result from additional contribution chemical bonding force. Density functional theory calculations verified that strong indeed accompanied bonding. The and subsequent deposition dielectric layer were best performed exhibiting This study suggests selection and/or modification...
We perform density functional theory calculations to study the CO and O2 adsorption chemistry of Pt@X core@shell bimetallic nanoparticles (X = Pd, Rh, Ru, Au, or Ag). To prevent CO-poisoning Pt nanoparticles, we introduce a core-shell nanoparticle model that is composed exposed surface sites facets X alloying element. find Pt@Pd, Pt@Rh, Pt@Ru, Pt@Ag spatially bind O2, separately, on X, respectively. Particularly, show most well-balanced binding energy values, which are required for facile...