相关论文: Ethanol chemisorption on core-shell Pt-nanoparticl…
In this work we show how to maximize absorption of plasmonic nanoparticles in terms of size, geometry and material. For that reason the interaction of nanoparticles with light was decomposed into different effects. We determined that the…
Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for…
Experimental and computational chemistry are two disciplines to conduct research in Astrochemistry, providing essential reference data for both astronomical observations and modeling. These approaches not only mutually support each other,…
The interactions between nanoparticles and solvents play a critical role in the formation of complex, metastable nanostructures. However, direct observation of such interactions with high spatial and temporal resolution is challenging with…
An ab initio density functional study was performed investigating the adsorption of CO$_2$ on the neutral boron B$_{n}$ ($n = 10-13$) clusters, characterized by planar and quasiplanar ground-state atomic structures. For all four clusters,…
Metal nanoparticle surfaces comprise of multiple planes with various atomic arrangements that interact with gases differently1,2. Identification of gas adsorption properties on all facets is an essential prerequisite for rational design of…
Chemisorption process and catalytic activity of CO to CO2 conversion on PdXRu1-X (X : 0, 0.1, 0.3, 0.5, 0.7, 0.9 and 1) extended as a benchmark for further investigation of very complex nanoparticle (NP) structures have been checked into…
We report 3D coherent diffractive imaging of Au/Pd core-shell nanoparticles with 6 nm resolution on 5-6 femtosecond timescales. We measured single-shot diffraction patterns of core-shell nanoparticles using very intense and short x-ray free…
The adsorption and diffusion of H atoms on beta-PtO2(001) surface have been studied using first-principles calculations. The chemisorbed H atoms are found to bind preferentially on the top sites of O atoms due to the much larger adsorption…
We present a study on buckling of colloidal particles, including experimental, theoretical and numerical developments. Oil-filled thin shells prepared by emulsion templating show buckling in mixtures of water and ethanol, due to dissolution…
The mechanism of adsorption of the 1,4,5,8-naphthalene-tetracarboxylic-dianhydride (NTCDA) molecule on the Ag(110) surface is elucidated on the basis of extensive density functional theory calculations. This molecule, together with its…
We investigate the adsorption of the nucleic acid bases, adenine (A), guanine (G), cytosine (C), thymine (T) and uracil (U) on the outer wall of a high curvature semiconducting single-walled boron nitride nanotube (BNNT) by first principles…
Deciphering the three-dimensional atomic structure of solid-solid interfaces in core-shell nanomaterials is the key to understand their remarkable catalytical, optical and electronic properties. Here, we probe the three-dimensional atomic…
Spherical NiPt@C nanoalloys encapsulated in carbon shells are synthesized by means of high-pressure chemical vapour deposition. Upon variation of the synthesis parameters, both the alloy core composition and the particle size of the…
In this study Fe2O3/Co3O4 nanocomposites were synthesized by using a simple hydrothermal route. The X-ray diffraction analysis results showed that synthesized powders were pure, and nanocrystalline in nature. Moreover, Scanning electron…
In this work, 6 to 12 nm iron oxide nanoparticles were synthesized and coated with poly(acrylic acid) chains of molecular weight 2100 g/mol. Based on a quantitative evaluation of the dispersions, the bare and coated particles were…
We have used the Australia Telescope Compact Array to measure the absorption from the 2(0) - 3(-1}E 12.2 GHz transition of methanol towards the z=0.89 lensing galaxy in the PKS B 1830-211 gravitational lens system. Comparison of the…
We present a systematic analysis of molecular oxygen (O$_2$) adsorption trends on bimetallic PtNi clusters and their monometallic counterparts supported on MgO(100), by means of periodic DFT calculations for sizes between 25 up to 58 atoms.…
Enantioselective interactions of chiral molecules include distinct absorptions to opposite-handed circularly polarized light, known as chiral absorption. Traditionally, chiral absorption has been primarily attributed to electric dipole and…
Based on extensive Monte Carlo simulations and analytical considerations we study the electrostatically driven adsorption of flexible polyelectrolyte chains onto charged Janus nanospheres. These net-neutral colloids are composed of two…