相关论文: Selective Response of Mesoporous Silicon to Adsorb…
We have investigated change in the electronic structures of atomically-controlled La$_{1-x}$Sr$_x$MnO$_3$ (LSMO) thin films as a function of hole-doping level ($x$) in terms of {\it in situ} photoemission spectroscopy (PES) and x-ray…
Transition-edge sensors (TESs) as microcalorimeters offer high resolving power, owning to their sharp response and low operating temperature. In the hard X-ray regime and above, the demand for high quantum-efficiency requires the use of…
The electrical conductance of porous silicon fabricated with heavily doped p-type silicon is very sensitive to NO$_2$. A concentration of 10 ppb can be detected by monitoring the current injection at fixed voltage. However, we show that the…
Adsorption of eight organic molecules (acetone, acetonitrile, ammonia, benzene, methane, methanol, ethanol, and toluene) onto silicene has been investigated using van der Waals density functional theory calculations (DFT-D). The calculated…
Molecular electronics on silicon has distinct advantages over its metallic counterpart. We describe a theoretical formalism for transport through semiconductor-molecule heterostructures, combining a semi-empirical treatment of the bulk…
Smalley and co-workers discovered that chemisorption reactivities of silicon clusters vary over three orders of magnitude as a function of cluster size. In particular, they found that \Si{33}, \Si{39}, and \Si{45} clusters are least…
Ni coated SiO2 and SiO2 coated Ni composite particles with core-shell structures were designed, prepared and their microwave absorption properties were characterized. The comparison study of the shell effect on the effective electromagnetic…
The design of low-dimensional organic-inorganic interfaces for the next generation of opto-electronic applications requires an in-depth understanding of the microscopic mechanisms ruling electronic interactions in these systems. In this…
The adsorption of lysozyme, cytochrome c and myoglobin, similar-sized globular proteins of approximately 1.5 nm radius, into the mesoporous silica material Santa Barbara Amorphous-15 (SBA-15) with 3.3 nm mean pore radius has been studied…
Porous carbon is well known as a good candidate for the development of electrochemical double-layer capacitors. Predominantly, many conventional carbons are microporous and often well described by the assumption of slit pore geometry.…
In situ NMR spectroscopy is a powerful technique to investigate charge storage mechanisms in carbon-based supercapacitors thanks to its ability to distinguish ionic and molecular species adsorbed in the porous electrodes from those in the…
Aminopropyl modified mesoporous SiO2 nanoparticles, MCM-41 type, have been synthesized by the co-condensation method from tetraethylorthosilicate (TEOS) and aminopropyltriethoxysilane (APTES). By means of modifying TEOS/APTES ratio we have…
The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiCNC) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset…
Nanoporosity in silicon leads to completely new functionalities of this mainstream semiconductor. A difficult to assess mechanics has however significantly limited its application in fields ranging from nanofluidics and biosensorics to drug…
We present an analytical investigation of the optical absorption spectrum of monolayer molybdenumdisulfide. Based on the density matrix formalism, our approach gives insights into the microscopic origin of excitonic transitions, their…
A resonant inelastic x-ray scattering study of the electronic structure of the semiconductor cuprous oxide, $\rm Cu_2O$, is reported. When the incident x-ray energy is tuned to the Cu K-absorption edge, large enhancements of the spectral…
Using an approximate time-dependent density functional theory method, we calculate the absorption and luminescence spectra for hydrogen passivated silicon nanoscale structures with large aspect ratio. The effect of electron confinement in…
X-ray absorption and resonant inelastic x-ray scattering measurements are carried out on lithium nitrate LiNO$_3$. The $\sigma$ orbitals around the nitrogen atoms exhibit a large lifetime effect. Experimentally, this is manifest as an…
The real and imaginary parts of the complex refractive index of SixNyHz have been calculated using density functional perturbation theory. Optical spectra for reflectivity, adsorption coefficient, energy-loss function (ELF), and refractive…
Mesoporous silica particles have been synthesized by sol-gel method from tetraethoxysilane (tetraethylorthosilicate, TEOS) and methyltriethoxysilane (MTES), in ethanol and water mixture, at different ratios of the of the silica precursors.…