Porphyrins are important macrocycles with applications in several areas including therapy, catalysis, and sensing. Strong nonlinear optical (NLO) responses are the key to fully exploiting the potential of these biocompatible molecules. We herein report that certain metal-alkynyl donor/nitro acceptor-functionalized porphyrins are attractive candidat...
status: published
The halogen bond complexes CF3X⋯Y and C2F3X⋯Y, with Y = furan, thiophene, selenophene and X = Cl, Br, I, have been studied by using DFT and CCSD(T) in order to understand which factors govern the interaction between the halogen atom X and the aromatic ring. We found that PBE0-dDsC/QZ4P gives an adequate description of the interaction energies in th...
Nanoporous materials such as metal-organic frame-works (MOFs) have been extensively studied for their potential for adsorption and separation applications. In this respect, grand canonical Monte Carlo (GCMC) simulations have become a well-established tool for computational screenings of the adsorption properties of large sets of MOFs. However, thei...
Although challenging propagation conditions reduce its reliability, the mmWave spectrum is considered a cornerstone of (beyond-)5G networks. Recently, distributed antenna systems (DASs) surrounding the mobile users with multiple remote antenna units (RAUs) interconnected by mmWave-over-fiber technology were identified as a prime candidate to unlock...
In view of high-performance, multifunctional, and low-carbon development of infrastructures, there is a growing demand for smart engineering materials, making infrastructures intelligent. This paper reports a new-generation self-sensing cementitious composite (SSCC) incorporated with a hierarchically structured carbon fiber (CF)-carbon nanotube (CN...
In view of high-performance, multifunctional, and low-carbon development of infrastructures, there is a growing demand for smart engineering materials, making infrastructures intelligent. This paper reports a new-generation self-sensing cementitious composite (SSCC) incorporated with a hierarchically structured carbon fiber (CF)-carbon nanotube (CN...
Electrochromic (EC) devices have been studied in recent decades as devices for optical property changes and energy-saving technologies, which has broadened their applications to include smart windows, sunglasses, and rear-view mirrors. Recently, multifunctional EC energy storage devices have attracted global attention because they can store and rel...
Electrochromic (EC) devices have been studied in recent decades as devices for optical property changes and energy-saving technologies, which has broadened their applications to include smart windows, sunglasses, and rear-view mirrors. Recently, multifunctional EC energy storage devices have attracted global attention because they can store and rel...
Electrochromic (EC) devices have been studied in recent decades as devices for optical property changes and energy-saving technologies, which has broadened their applications to include smart windows, sunglasses, and rear-view mirrors. Recently, multifunctional EC energy storage devices have attracted global attention because they can store and rel...
