We investigate the adsorption process of an organic biomolecule (chitosan) on epoxy-functionalized graphene using ab-initio density functional methods incorporating van-der-waals (vdW) interactions. The role of London dispersion force on the cohesive energy and conformal preference of the molecule is quantitatively elucidated. Functionalizing graphene with epoxy leads to weak hydrogen-bond inte...

Calculated energy profiles for the reactions of neutral Nb(2) and Nb(3) metal clusters with CO, D(2), N(2), and O(2) are presented. In each reaction path, both a physisorption energy minimum, where the reactant remains intact, and a chemisorption energy minimum, where the reactant has dissociated, are calculated and linked by saddle points. We calculate branching ratios for the forward (dissoc...

The formation process of self-assembled monolayer (SAM) of decanethiol (C10SH) on Au(111) single crystal electrode has been investigated for wide range of C10SH concentration (0.1 M ∼ 500 M) and temperature (253 K ∼ 298 K). The amount and quality of C10SH SAM were determined from area and position, respectively, of reductive desorption peak of the SAM modified Au(111) electrode measured in 0....

Microtubules are filamentous proteins that act as a substrate for the translocation of motor proteins. As such, they may be envisioned as a scaffold for the self-assembly of functional materials and devices. Physisorption, self-assembly and combing are here investigated as a potential prelude to microtubule-templated self-assembly. Dense films of self-assembled microtubules were successfully pr...

Polymer-based interpenetrating networks (IPNs) with controllable and programmable degradation and release kinetics enable unique opportunities for physisorption and controlled release of therapeutic proteins or vaccines while their chemical and structural integrities are conserved. This paper presents materials, a simple preparation method, and release kinetics of a series of long-term programm...

The rate of desorption of chemisorbed chlorobenzene molecules from the Si(111)-7 × 7 surface, induced by nonlocal charge injection from an STM tip, depends on the surface temperature. Between 260 and 313 K, we find an Arrhenius thermal activation energy of 450 ± 170 meV, consistent with the binding energy of physisorbed chlorobenzene on the same surface. Injected electrons excite the chlorobenz...

The nanoparticles of templated crosslinked chitosan, was prepared through using ECH as a crosslinker. The nanoparticles exhibited significantly higher adsorption capacities from the congo red dye than other adsorbent formed without a crosslinker. The adsorption of the dyes on the nanoparticles was affected by the initial pH, dye concentration, and temperature. The results were in accordance wit...