Correction: Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.

Correction for 'Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes' by Philipp Dierks , , 2021, , 6640-6643, https://doi.org/10.1039/D1CC01716K.

Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.

Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(ii) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes.

Ab Initio Molecular Dynamics Investigation of CH/CO Adsorption on Calcite: Improving the Enhanced Gas Recovery Process.

Ab initio molecular dynamics simulations of CH and CO on the calcite (104) surface have been carried out for the molecular level analysis of CO-enhanced gas recovery process (EGR). This process takes advantage of the stronger interaction of CO with the reservoir walls compared to CH, therefore can improve the extraction of the latter, while at the same time sequestering the former underground. Pure and mixed gases were considered and the temperature effect on the systems behavior was analyzed.

The effect of N-heterocyclic carbene units on the absorption spectra of Fe(II) complexes: a challenge for theory.

The absorption spectra of five Fe(ii) homoleptic and heteroleptic complexes containing strong sigma-donating N-heterocyclic carbene (NHC) and polypyridyl ligands have been theoretically characterized using a tuned range-separation functional. From a benchmark comparison of the obtained results against other functionals and a multiconfigurational reference, it is concluded that none of the methods is completely satisfactory to describe the absorption spectra. As a compromise using 20% exact exchange, the electronic excited states underlying the absorption spectra are analyzed.

Size- and Wavelength-Dependent Two-Photon Absorption Cross-Section of CsPbBr Perovskite Quantum Dots.

All-inorganic colloidal perovskite quantum dots (QDs) based on cesium, lead, and halide have recently emerged as promising light emitting materials. CsPbBr QDs have also been demonstrated as stable two-photon-pumped lasing medium. However, the reported two photon absorption (TPA) cross sections for these QDs differ by an order of magnitude.

Time-resolved terahertz spectroscopy reveals the influence of charged sensitizing quantum dots on the electron dynamics in ZnO.

Photoinitiated charge carrier dynamics in ZnO nanoparticles sensitized by CdSe quantum dots is studied using transient absorption spectroscopy and time-resolved terahertz spectroscopy. The evolution of the transient spectra shows that electron injection occurs in a two-step process, where the formation of a charge transfer state (occurring in several picoseconds) is followed by its dissociation within tens of picoseconds. The photoconductivity of electrons injected into the ZnO nanoparticles is lower than that of charges photogenerated directly in ZnO.

A comprehensive review of electrocoagulation for water treatment: Potentials and challenges.

Electrocoagulation is an effective electrochemical approach for the treatment of different types of contaminated water and has received considerable attention in recent years due its high efficiency in dealing with numerous stubborn pollutants. It has been successful in dealing with organic and inorganic contaminants with negligible or almost no generation of by-product wastes. During the past decade, vast amount of research has been devoted to utilizing electrocoagulation for the treatment of several types of wastewater, ranging from polluted groundwater to highly contaminated refinery wastewater.

Direct Experimental Evidence for Photoinduced Strong-Coupling Polarons in Organolead Halide Perovskite Nanoparticles.

Echoing the roaring success of their bulk counterparts, nano-objects built from organolead halide perovskites (OLHP) present bright prospects for surpassing the performances of their conventional organic and inorganic analogues in photodriven technologies. Unraveling the photoinduced charge dynamics is essential for optimizing the optoelectronic functionalities. However, mapping the carrier-lattice interactions remains challenging, owing to their manifestations on multiple length scales and time scales.

Hot electron and hole dynamics in thiol-capped CdSe quantum dots revealed by 2D electronic spectroscopy.

Colloidal quantum dots (QDs) have attracted interest as materials for opto-electronic applications, wherein their efficient energy use requires the understanding of carrier relaxation. In QDs capped by bifunctional thiols, used to attach the QDs to a surface, the relaxation is complicated by carrier traps. Using 2D spectroscopy at 77 K, we follow excitations in thiol-capped CdSe QDs with state specificity and high time resolution.

Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex.

The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density.

Surface plasmon inhibited photo-luminescence activation in CdSe/ZnS core-shell quantum dots.

In a composite film of Cd x  Se y  Zn1-x  S1-y gradient core-shell quantum dots (QDs) and gold nanorods (NRs), the optical properties of the QDs are drastically affected by the plasmonic nanoparticles. We provide a careful study of the two-step formation of the film and its morphology. Subsequently we focus on QD luminescence photoactivation-a process induced by photochemical changes on the QD surface.

Optimization of selection of chain amine scrubbers for CO2 capture.

In order to optimize the selection of a suitable amine molecule for CO2 scrubbers, a series of ab initio calculations were performed at the B3LYP/6-31+G(d,p) level of theory. Diethylenetriamine was used as a simple chain amine. Methyl and hydroxyl groups served as examples of electron donors, and electron withdrawing groups like trifluoromethyl and nitro substituents were also evaluated.