A tight-binding model for the excitonic band structure of a one-dimensional molecular chain: UV-Vis spectra, Zak phase and topological properties

Recently organic optics becomes a hot topic due to the rapid development of organic light-emitting diodes, organic solar cells, and organic photon detectors. The optical spectra of the molecular semiconductors are difficult to solve an model from first-principles because (i) the very large number of atoms in a unit cell and (ii) the accurate theoretical excited state is still under development. Here we present a tight-binding model of an exciton band structure in a molecular chain. We take into account the intra-molecule and charge-transfer excitation within a molecular dimer in a unit cell, then we apply the tight-binding model by including the coupling between two types of excitations. We not only found that our calculations can explain a body of UV-Vis optical spectra of transition-metal phthalocyanines, but also a one-dimensional excitonic topological band structure if we fine-tune the couplings in a dimerized molecular chain. We have found a large space to obtain the topological Zak phase in the parameter space, in which there is a simple linear relationship between the hopping integrals between cells and within cell.Comment: 5 pages, 5 figure

Influence of surface chemistry on the electronic properties of graphene related carbon materials

A theoretical study on the influence of organic functional groups on the electronic properties of graphene related carbon materials was carried out. Here we report, using density functional theory and tight-binding approach, that the best candidates for conducting supramolecular devices can be obtained by engineering the surface chemistry and stacking conformation of these materials

Monitoring of Cell Layer Integrity with a Current-Driven Organic Electrochemical Transistor

The integrity of CaCo-2 cell barriers is investigated by organic electrochemical transistors (OECTs) in a current-driven configuration. Ion transport through cellular barriers via the paracellular pathway is modulated by tight junctions between adjacent cells. Rupturing its integrity by H2O2 is monitored by the change of the output voltage in the transfer characteristics. It is demonstrated that by operating the OECT in a current-driven configuration, the sensitive and temporal resolution for monitoring the cell barrier integrity is strongly enhanced as compared to the OECT transient response measurement. As a result, current-driven OECTs are useful tools to assess dynamic and critical changes in tight junctions, relevant for clinical applications as drug targeting and screening

Conformation-dependent electron transport through a biphenyl molecule: Circular current and related issues

We investigate the conformation-dependent electron transfer in a biphenyl molecule within a simple tight-binding framework. The overall junction current and circular currents in two benzene rings driven by applied bias voltage are calculated by using Green's function formalism. Our analysis may provide the possibilities of using organic molecules with loop substructures to design molecular spintronic devices, indicating the emergence of molecular spintronics.Comment: 8 pages, 11 figure

Capsulation of moldings made from silicon ceramic material

Ceramic articles are potted for hot isostatic pressing by porous glass and/or ceramic coating which is sintered to a pressure-tight coating in vacuo. Thus, a powdered SiO2 glass mixture with saturated alcohol sterin is sprayed on a SI3N4 ceramic, dried, introduced into the press which is evacuated to less than 0.013 mbar and heated to approximately 1200 C to drive off the organic binder and leave a powdered glass coating on the ceramic. The coating is sintered by heating to approximately 1200 C for 0.5 to 2 hours and forms a tight gass-impermeable layer. The press is heated to approximately 1700 C at 1000-300 bar and isostatic pressing is performed in the conventional manner

Reproductive Management of Dairy Cows with Particular Reference to Organic Systems

Reproductive efficiency is a major factor affecting production and economic efficiency indairy herds. In seasonally calving herds the requirement of good reproductive performance is of greater importance than in other production systems in order to maximally exploit the use of grazed grass in the diet of the cow. Reproductive performance of lactating dairy cows worldwide has declined over the past 30 years in association with selection for milk yield. There is increasing and consistent evidence to suggest that at least some part of the decline in cow reproductive performance is related to underlying changes in reproductive physiology caused by high milk production and or negative energy balance (NEB) in early lactation. Organic systems of milk production demand high tight seasonal calving patterns, maximal production from grazed grass, low involuntary culling rates and the continuous genetic improvement of the herd for commercially important traits. Organic milk production systems should also allow for replacement rates of 25% - 30% to ensure a young herd age structure and low somatic cell counts (SCC). The objective of this paper is to review the role of management factors in herd reproductive performance with particular reference to organic herds

The role of clover in organic milk production

Relatively high levels of milk output are possible from organic clover-based grassland compared with average production on conventional dairy farms in Ireland. Although clover-based swards receiving no fertilizer have relatively low growth in spring, a long grazing season can be achieved by extending the grazing season during the autumn and winter. High growth rates during the summer and autumn and relatively low stocking densities on organic dairy farms facilitate this. Maintaining the clover content of swards is important to maintain productivity. Tight grazing to 4 cm throughout the year and particularly during the late autumn and winter is important. Identifying swards with declining clover contents due to competition from the grass component of the sward or due to hoof damage is also important. These swards need to be over- sown the following year with the target of over-sowing or re-seeding no less than 20% of the farm each year