Theoretical study on naphthobischalcogenadiazole conjugated polymer systems and C61 derivative as organic photovoltaic semiconductors

We investigated the charge-transfer reactions of solar cells including a quaterthiophene copolymer with naphtho-bis-thiadiazole (PNTz4T) and naphtho-bis-oxadiazole (PNOz4T) using constrained density functional theory (CDFT). According to our calculations, the high electron-transfer rate results in a highly efficient solar cell, and the stable charge-transfer state results in low energy loss. Our computations imply that the following three factors are crucial to improve the performance of semiconducting polymers: (i) large structural changes following charge-transfer, (ii) narrow band gap, and (iii) spatially delocalized lowest unoccupied molecular orbital (LUMO) of the ground state

Direct in-situ temperature measurement for lamp-based heating device

Despite a wide variety of its practical applications, handiness, and cost-effectiveness, the advance of lamp-based heating devices is obstructed by one technical difficulty in measuring the temperature on a heated material. This difficulty originates in the combination of a polychromatic light source and a radiation thermometer that determines temperature from radiation (i.e. light). A new system developed in this study overcomes this intrinsic difficulty by measuring exclusively the radiation from the heated material, allowing us to perform the direct and in-situ measurement of temperature in a light-based heating device (an arc image furnace). Test measurements demonstrated the reliability of temperature measurement using the developed system as well as its promising potential for the determination of emissivity at high temperature particularly in the infrared region

Machine Learning Analysis for Photo-Induced Phenomena of 1-Methyl-3-(N-(1,8- Naphthalimidyl)ethyl)imidazolium Salts

1-Methyl-3-(N-(1,8-naphthalimidyl)ethyl)imidazolium (MNEI) salts show various photochemical phenomena depending on the guest anion. We used machine learning techniques to extract decisive factors that dominate the fate of MNEI salts after UV irradiation and prepared a decision tree diagram to deduce their photochemical phenomena before experiments