Materials Literature
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Combining energetic data from density functional theory with thermodynamic calculations, we have studied in detail selective NO reduction under excess O2 conditions on Ir. We show that excess O2 can readily poison the Ir catalyst for NO reduction and the poisoning starts from a low O coverage on the surface. The adsor…
Semiconducting-only single-walled carbon nanotube (SWNT) network field effect transistors (FETs) have been fabricated by selectively reacting all the metallic SWNTs in the devices with diazonium reagents in a controlled manner. We have shown that the concentration of diazonium reagents used is crucial for selectively…
ADVERTISEMENT RETURN TO ISSUEArticleNEXTStrategies in Making Cross-Linked Enzyme CrystalsJ. Jegan Roy and T. Emilia AbrahamView Author Information Biochemical Processing Section, Regional Research Laboratory (CSIR), Trivandrum 695 019, India Cite this: Chem. Rev. 2004, 104, 9, 3705–3722Publication Date (Web):August 6,…
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We have used the LTLSM technique for a spatially resolved investigation of the microwave transport properties, nonlinearities and material inhomogeneities in an operating coplanar waveguide YBa_2Cu_3O_{7-δ} (YBCO) microwave resonator on an LaAlO_3 (LAO) substrate. The influence of twin-domain blocks, in-plane rotated…
We present first-principles calculations on the band structures of 40 different small diameter $(d)$ single-wall carbon nanotubes (SWCNTs), including 14 chiral ones, employing density functional theory (DFT) within the local density approximation (LDA), using the Vienna ab initio simulation package (VASP). The band ga…
Investigation of transport and magnetic properties of MnTe at low temperatures sInvestigation of transport and magnetic properties of MnTe at low temperatures showed anomalies like negative coefficient of resistance below 100K and a sharp rise in susceptibility at around 83K similar to a ferromagnetic transition. Low…
Using an ab-initio electronic structure method, I study the (111) surfaces of the half-metallic NiMnSb alloy. In all cases there is a very pronounced surface state within the minority gap which destroys the half-metallicity This state survives for several atomic layers below the surface contrary to the (001) surfaces…
We analyze spin splitting of the two-dimensional hole spectrum in strained asymmetric SiGe quantum wells (QWs). Based on the Luttinger Hamiltonian, we obtain expressions for the spin-splitting parameters up to the third order in the in-plane hole wavevector. The biaxial strain of SiGe QWs is found to be a key paramete…
In their comment, A. Hakansson, J. Sanchez-Dehesa, F. Cervera, F. Meseguer, L. Sanchis, and J. Llinares say that our conclusion stating that diffraction prevails over refraction in acoustic lenses whose aperture is of several wavelengths, such as those addressed in our calculations [N. Garcia, M. Nieto-Vesperinas, E.…
In antiferromagnetic nanoparticles magnetization the linear component, $χ_{AF}$H superposed to the saturation one usually complicates the fit of experimental data. We present a method based on scaling laws to determine the variation of $χ_{AF}$ with temperature and to find the temperature dependence of the average mag…
Harrison's tight-binding theory provides an excellent qualitative description of the electronic structure of the elements across the periodic table. However, the resulting band structures are in significant disagreement with those found by standard methods. We developed a new procedure to generate both the prefactors…
Recent progress in the synthesis and processing of nano-structured materials and systems calls for an improved understanding of thermal properties on small length scales. In this context, the question whether thermodynamics and, in particular, the concept of temperature can apply on the nanoscale is of central interes…
The formation of colloids based on polyelectrolyte complexes (PECs) of biopolymers was investigated through the complexation between two charged polysaccharides, chitosan as polycation, and dextran sulfate as polyanion. The slow dropwise addition of components, generally used for the formation of PECs, allowed to elab…
A variety of complex inorganic solids with open-framework and other fascinating architectures, involving silicate, phosphate, and other anions, have been synthesized under hydrothermal conditions. The past few years have also seen the successful synthesis and characterization of several molecular compounds that can ac…
Dyeing effluent is one of the largest contributors to textile effluent and such colored wastewater has a seriously destructive impact on the environment. Adsorption can be a very effective treatment for decolorization of textile dyeing effluent, but current techniques employ adsorption chemistry that is not particular…
We report periodic spin-polarized density functional theory (DFT) predictions of hydrogen adsorption, absorption, dissolution, and diffusion energetics on and in ferromagnetic (FM) body-centered cubic (bcc) iron. We find that H prefers to stay on the Fe surface instead of subsurfaces or in bulk. Hydrogen dissolution i…
Surface roughness is known to amplify hydrophobicity. The apparent contact angle of a drop on a rough surface is often modeled using either Wenzel's or Cassie's formulas. These formulas, along with an appropriate energy analysis, are critical in designing superhydrophobic substrates for applications in microscale devi…
Recent research activities on metamaterials, in particular left-handed materials, have not only demonstrated interesting physical phenomena but have also lead to the realisation of promising new types of high frequency components and devices. It is difficult but interesting to consider the prospects for these material…
Abstract Summary: A new class of macromolecules containing neutral and cationic organoiron moieties with arylazo chromophores in their backbones has been prepared. Photolysis of these polymers resulted in the removal of the cationic iron moieties leading to new polyferrocenes with azo dyes in their backbones. UV‐vis s…