Organic thermoelectric device utilizing charge transfer interface as the charge generation by harvesting thermal energy.

We propose an organic thermoelectric device having a new power generation mechanism that extracts small-scale thermal energy, i.e., a few tens of millielectronvolts, at room temperature without a temperature gradient.

Simulation Study of the Effect of Nanoporous Surfaces on the Adhesion Properties of Cross-Linked Polymer Networks.

We have investigated the effect of surface nanopores on the adhesion behavior between cross-linked polymer networks and metal substrates by molecular dynamics simulations. By increasing the cross-linking ratio of the polymer network, the fracture behavior in tensile mode changed from cohesive failure to interfacial failure. In the case of polymers without cross-links, the breaking strengths were almost the same for systems with flat and porous metal substrates.

Disentangling Origins of Adhesive Bonding at Interfaces between Epoxy/Amine Adhesive and Aluminum.

Joining metals by adhesive bonding is essential in widespread fields such as mobility, dentistry, and electronics. Although adhesive technology has grown since the 1920s, the roles of interfacial phenomena in adhesive bonding are still elusive, which hampers the on-demand selection of surface treatment and adhesive types. In the present study, we clarified how chemical interactions and mechanical interlocking governed adhesive bonding by evaluating adhesion properties at the interfaces between epoxy/amine adhesive and two kinds of Al adherends: a flat aluminum hydroxide (AlOH) and technical Al plate with roughness.

Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone.

The mechanism for the reaction of trimethylaluminum (TMA, Al(CH)) with ozone (O) was investigated in detail using density functional theory calculations to understand the atomic layer deposition processes that form aluminum oxide surfaces. We examined the reactions of TMA and some possible intermediates with O and revealed plausible paths to form methoxy (-OCH), formate (-OCHO), bicarbonate (-COH), and hydroxyl (-OH) species. These species have been observed in previous experimental studies.

Simulation Study of the Effects of Interfacial Bonds on Adhesion and Fracture Behavior of Epoxy Resin Layers.

The adhesion and fracture behavior of tetraglycidyl-4,4'-diaminodiphenylmethane (TGDDM)/4,4'-diaminodiphenyl sulfone (44DDS)-bisphenol A diglycidyl ether (DGEBA)/44DDS layer interfaces were investigated by molecular dynamics (MD) simulation, mainly focusing on the role of covalent and noncovalent interactions. To accurately investigate the bond dissociation processes, the force field parameters of several bond potentials of the epoxy resin polymers were optimized by density functional theory calculations. In the MD simulations under a tensile load, small voids gradually developed without covalent bond dissociation in the plateau region.