Klitcraft2219

Redox cyclings between mono-/di-valent copper oxidation states occur in electron transfer reactions that underlie their biological functions. We report herein a dual channel fluorescent nanoprobe for the detection of mono- and di-valent copper ions. The probe, BSA-CDs@RBH/BCS, is designed by decorating carbon dots (CDs) on BSA encapsulated rhodamine hydrazide (RBH) and conjugating with bathocuproine disulfonate (BCS). Cu2+ catalyzes the hydrolysis of RBH, and the formed rhodamine B (RhB) shows emission at λex/λem = 360/575 nm which ensures Cu2+ detection. BSA reduces Cu2+ to Cu+ and the BCS-Cu+ chelate shows emission at λex/λem 360/450 nm which ensures Cu+ assay. Thus, the dual-channel fluorescence enables speciation of Cu2+ and Cu+.It has recently been proposed that the dominant non-radiative decay mechanism in blue Ir(iii) phosphors at room temperature is due to the low-lying non-radiative metal-centred triplet states. These are populated thermally via an activated transition from the highly radiative metal-to-ligand-charge-transfer states that are initially populated due to intersystem crossing following the radiative or electronic excitation of the phosphor. We apply transition state theory to quantitatively calculate the non-radiative decay rate of a family of Ir(iii) complexes containing N-heterocyclic carbene (NHC) ligands. We compare the, computationally inexpensive, one-dimensional theory with the, more accurate, multi-dimensional theory. Both methods find a non-radiative rate with an Arrhenius form (knr = kae-ΔE/kBT). The pre-exponential factors, ka, and activation energies, ΔE, are evaluated via density functional theory (DFT). The multi-dimensional theory shows that there is an order of magnitude variation in ka within this fgn of new deep blue Ir(iii) phosphors with high emission efficiency. Even the one-dimensional theory provides reasonable agreement with experiment. This suggests that a funneling approach - where only the best performing molecules, according to the one-dimensional theory, are studied in the more laborious multi-dimensional framework - could be a powerful strategy for designing active materials for phosphorescent organic light-emitting diodes (PHOLEDs) from first principles.Vertical van der Waals heterostructures have aroused great attention for their promising application in next-generation nanoelectronic and optoelectronic devices. The dielectric screening effect plays a key role in the properties of two-dimensional (2D) heterostructures. Here, we studied the dielectric screening effects on the excitonic properties and critical points (CPs) of the WS2/MoS2 heterostructure using spectroscopic ellipsometry (SE). Owing to the type-II band alignment of the WS2/MoS2 heterostructure, charged carriers spatially separated and created an interlayer exciton, and the transition energy and binding energy have been accurately found to be 1.58 ± 0.050 eV and 431.39 ± 127.818 meV by SE, respectively. Prograf We found that stacking the WS2/MoS2 vertical heterostructure increases the effective dielectric screening compared with the monolayer counterparts. The increased effective dielectric screening in the WS2/MoS2 heterostructure weakens the long-range Coulomb force between electrons and holes. Consequently, the quasi-particle band gap and the exciton binding energies are reduced, and because of the orbital overlap, more CPs are produced in the WS2/MoS2 heterostructure in the high photon energy range. Our results not only shed light on the interpretation of recent first-principles studies, but also provide important physical support for improving the performance of heterostructure-based optoelectronic devices with tunable functionalities.Quantum annealers have grown in complexity to the point that quantum computations involving a few thousand qubits are now possible. In this paper, with the intentions to show the feasibility of quantum annealing to tackle problems of physical relevance, we used a simple model, compatible with the capability of current quantum annealers, to study the relative stability of graphene vacancy defects. By mapping the crucial interactions that dominate carbon-vacancy interchange onto a quadratic unconstrained binary optimization problem, our approach exploits the ground state as well as the excited states found by the quantum annealer to extract all the possible arrangements of multiple defects on the graphene sheet together with their relative formation energies. This approach reproduces known results and provides a stepping stone towards applications of quantum annealing to problems of physical-chemical interest.Dynamic networks which undergo topology conserving exchange reactions, sometimes called vitrimers, show properties intermediate to thermosets and thermoplastics. The dynamic nature of the networks results in complex rheological properties and has attracted much attention in the past decade for self-healing, malleable and recyclable polymers. Here, we investigate a series of precise, high crosslink density telechelic ethylene vitrimers as a function of temperature and crosslink density. The networks show a rubbery plateau at high frequencies and a terminal flow regime at lower frequencies. With increasing crosslink density, the rubbery plateau modulus shows a monotonic increase and the terminal flow shifts to lower frequencies. The plateau modulus at high frequency increases as a function of temperature, as expected for a conserved network topology. When plotted against inverse temperature, the zero shear viscosities show a characteristic Arrhenius behavior, and the activation energy monotonically increases with crosslink density. Crossover frequency and shift factors (from time temperature superposition) also show Arrhenius behavior with activation energies in good agreement with those determined from zero shear viscosity. A positive deviation from this Arrhenius trend is observed beginning as high as 100 K above the glass transition temperature for C6 and C8 networks. Further investigations of such networks are critical for the development of sustainable and recyclable replacements for commercial plastics.