We present a modeling scheme to analyze cagelike silica mesoporous crystals based on in situ X-ray diffraction (XRD) data collected during gas adsorption-desorption (physisorption) processes. Nitrogen physisorption on a silica mesoporous crystal of SBA-16 was directly monitored by using synchrotron in situ powder XRD measurements conducted at SPring-8. SBA-16 is a well-ordered mesoporous silica...

Detection of individual molecular adsorption, which represents the ultimate resolution of gas sensing, has rarely been realized with solid-state devices. So far, only a few studies have reported detection of individual adsorption by measuring the variation of electronic transport stemming from the charge transfer of adsorbate. We report room-temperature detection of the individual physisorption...

Raman spectroscopy and Raman imaging were used to examine several types of carbon electrode materials, including glassy carbon (GC) and highly ordered pyrolytic graphite (HOPG). Variations in the intensity ratio of the D and E2g Raman bands across the carbon surface indicated varying carbon microstructure. The D/E2g ratio for polished GC and pyrolytic graphite edge (PG) was relatively constant,...

Interaction between hydrogen molecules and bare as well as functionalized single-wall carbon nanotubes SWNT is investigated using first-principles plane wave method. It is found that the binding energy of the H2 physisorbed on the outer surface of the bare SWNT is very weak, and cannot be enhanced significantly either by increasing the curvature of the surface through radial deformation, or by ...

We investigate the capability of low-coordinated sites on small model clusters to act as active centers for hydrogen storage. A set of small magic clusters with the formula (XY)6 (X = Mg, Ba, Be, Zn, Cd, Na, Li, B and Y = O, Se, S, F, I, N) and a "drumlike" hexagonal shape showing a low coordination number of three was screened. Oxide clusters turned out to be the most promising candidates for ...

In this quantum chemical investigation, NH(3) physisorption onto a model of copper sulfate impregnated silica is compared with pure silica and copper sulfate adsorbents. The physisorption process is modeled as direct binding of the NH(3) molecule to the adsorption site of the dry adsorbents and as displacement of a H(2)O molecule by NH(3) in the hydrated complexes. The surface of silica is repr...

Medical implants are increasingly often inserted into bone of frail patients, who are advanced in years. Due to age, severe trauma or pathology-related bone changes, osseous healing at the implant site is frequently limited. We were able to demonstrate that coating of endosseous implants with nanocrystalline diamond (NCD) allows stable functionalization by means of physisorption with BMP-2. Str...

NMR experiments of (129)Xe adsorbed on an iridium single crystal surface are reported. Very high nuclear polarization (P(z) approximately 0.7) makes the experiment possible. A coverage of less then one monolayer is investigated on the Ir(111) surface with an area of 0.8 cm(2). The observed resonance line shifts are very large and highly anisotropic. We find sigma(iso) = 1,032 +/- 11 ppm and sig...