Related papers: Doublet-triplet energy transfer dominated photon u…
Ultrasensitive detection and real-time monitoring of biological processes can benefit significantly from the improved brightness and photostability of the popular organic dyes such as cyanines. Here, using a model cyanine dye, Cy3, we…
We develop a detailed theoretical model of photo-induced proton-coupled electron transfer (PPCET) processes, which are at the basis of solar energy harvesting in biological systems and photovoltaic materials. Our model enables to analyze…
Spintronic terahertz (THz) emitter provides the advantages such as apparently broader spectrum, significantly lower cost, and more flexibility in compared with the commercial THz emitters, and thus attracts great interests recently. In past…
Organic charge-transfer complexes (CTCs) formed by strong electron acceptor and strong electron donor molecules are known to exhibit exotic effects such as superconductivity and charge density waves. We present a low-temperature scanning…
We theoretically examine the neutral atom-molecule analogue of the anomalous quantum correlations between degenerate electrons, i.e., Cooper pairs, that are responsible for superconductivity. Based on rogue dissociation of triatomic…
The mechanism of reversible photodegradation of 1-substituted aminoanthraquinones doped into poly(methyl methacrylate) and polystyrene is investigated. Time-dependent density functional theory is employed to predict the transition energies…
Two-dimensional (2D) transition metal dinitride (HfN2) has been studied for their optoelectronic, piezoelectric, and thermoelectric properties. Both monolayer and bilayer of HfN2 were studied using density functional theory (DFT) and…
Transition-metal-based layered double hydroxides (TM-LDHs) nanosheets are promising electrocatalysts in the renewable electrochemical energy conversion system, which are regarded as alternatives to noble metal-based materials. In this…
We investigate the effects of transition metals (TM) on the electronic doping and scattering in graphene using molecular beam epitaxy combined with in situ transport measurements. The room temperature deposition of TM onto graphene produces…
Dye sensitised nanocrystalline solar cells (Gr\"{a}tzel cells) have achieved solar-to-electrical energy conversion efficiencies of 12% in diffuse daylight. The cell is based on a thin film of dye-sensitised nanocrystalline TiO$_2$…
Topological Dirac semimetals (TDSM), such as Cd$_3$As$_2$ and Na$_3$Bi, exhibits strong optical dichroism with contrasting dielectric permittivity along different crystal axes. However, such optical dichroism is often overlooked in the…
Despite many advances towards improving the stability of organic photovoltaic devices, environmental degradation under ambient conditions remains a challenging obstacle for future application. Particularly conventional systems employing…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
Ultrafast light-matter interaction has emerged as a powerful tool to control and probe the macroscopic properties of functional materials, especially two-dimensional transition metal dichalcogenides which can form different structural…
Charge transfer excitations can be described within TD-DFT, not only by means of long-range corrected exchange functionals but also with a combination of wave function theory and TD-DFT based on range separation. The latter approach enables…
A novel mechanism to realize dynamically tunable electromagnetically induced transparency (EIT) analogue in the terahertz (THz) regime is proposed. By putting the electrically controllable monolayer graphene under the dark resonator, the…
The photophysical properties of deoxyribonucleic acid (DNA) are fundamental to life sciences and biophotonics. While previous studies have generally been restricted to fluorescence, attributing it to pi-pi* transitions and charge transfer…
The inherent sensitivity of quantum sensors to their physical environment can make them good reporters of parameters such as temperature, pressure, strain, and electric fields. Here, we present a molecular platform for pressure (P) and…
We theoretically revealed that a weak photoexcitation achieves the electric polarization-inversion with approximately $18\%$ of all the charges, which was interpreted as a superimposition of multi-exciton states, from the charge-ordered…
Understanding and controlling exciton transport is a strategic way to enhance the optoelectronic properties of high-performance organic devices. In this article we study triplet exciton migration in crystalline poly($p$-phenylene vinylene)…