Thin films of crystalline and porous metal–organic frameworks (MOFs) have great potential in membranes, sensors, microelectronic chips. While the morphology crystallinity MOF can be evaluated using widely available techniques, characterizing their pore size, volume, specific surface area is challenging due to low amount material substrate effects. Positron annihilation lifetime spectroscopy (PA...

We study irreversible polymer adsorption from dilute solutions theoretically. Universal features of the resultant non-equilibrium layers are predicted. Two broad cases are considered, distinguished by the magnitude of the local monomer-surface sticking rate Q: chemisorption (very small Q) and physisorption (large Q). Early stages of layer formation entail single-chain adsorption. While single-c...

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...

Teflon surfaces exhibiting self-adaptive behaviour with both highly hydrophilic character and strong coordinating properties are prepared in a straightforward manner by physisorption of the fluorophilic copper(II)-carboxylate complex 2.

Submitted for the MAR13 Meeting of The American Physical Society Chemiand Physisorption Together from a Semilocal Density Functional: Graphene on Ni (111) JIANWEI SUN, BING XIAO, ADRIENN RUZSINSZKY, JOHN PERDEW, Tulane University, JOHN PERDEW TEAM — Conventional semilocal approximations of density functional theory at the level of local spin density approximation (LSDA) and generalized gradient...

The density functional theory (DFT) has been used to simultaneously investigate physic/chemisorption properties of hydrogen on the (5, 5) boron nitride nanotube (BNNT). Geometry optimizations were carried out at B3LYP/6-31G* level of theory using Gaussian 98 suites of program. Physisorption of H outside 2 the BNNT with a vertical orientation to the tube axis above a nitrogen atom is the most st...