The interaction mechanism of sodium dodecyl sulfonate (NaDS) with mineral fluorite has been investigated by Infrared Attenuated Total Reflection (ATR). Measurements have been done using a modified ATR cell which allows the study of powdered samples without previous manipulations. Adsorption experiments were carried out at 25°C and pH 6.5. Also measurements of the contact angle for water. glycer...

We report the results of our first-principles study based on density functional theory on the interaction of the nucleic acid base molecules adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U), with a single-walled carbon nanotube (CNT). Specifically, the focus is on the physisorption of base molecules on the outer wall of a (5, 0) metallic CNT possessing one of the smallest dia...

Transition metal dichalcogenides (TMDCs) have recently been the focus of extensive research activity owing to their fascinating physical properties. As a new member of TMDCs, Mo doped ReSe2 (Mo:ReSe2) is an octahedral structure semiconductor being optically biaxial and highly anisotropic, different from most of hexagonal layered TMDCs with optically uniaxial and relatively high crystal symmetry...

Results are presented of in situ studies of the thermoelectric power and four-probe resistance of single-walled carbon nanotube films during the adsorption of cyclic hydrocarbons C(6)H(2n) (n=3-6). The size of the change in these transport parameters is found to be related to the pi electron population of the molecule, suggesting the coupling between these pi electrons and those in the nanotube...

S. Gowtham,1 Ralph H. Scheicher,1,2,*,† Rajeev Ahuja,2,3 Ravindra Pandey,1,*,‡ and Shashi P. Karna4 1Department of Physics and Multi-Scale Technologies Institute, Michigan Technological University, Houghton, Michigan 49931, USA 2Condensed Matter Theory Group, Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala, Sweden 3Applied Materials Physics, Department of Materials and Engi...

Available online 6 November 2012

.................................................................................................................................................. 8 Zusammenfassung ................................................................................................................................ 11 1. General Introduction ...............................................................................

We have investigated the physisorption states of H2 on Ag(111) surfaces. To clarify the accurate adsorption properties of H2 on Ag(111), we performed first-principles calculations based on spin-polarized density functional theory (DFT) with the semiempirical DFT-D2 method and the newly-developed exchange functional with the non-local correlation functional vdW-DF2 (rev-vdW-DF2). We constructed ...

The effect of microwaves on the functionalization of single-walled carbon nanotubes (SWNTs) by the diazonium method was studied. The usage of a new approach led to the identification of the strength of the interaction (physical or chemical) between the functional groups and the carbon nanotube surface. Moreover, the nature (chemical formula) of the adsorbed/grafted functional groups was determi...