Correction: Real-time structural dynamics of the ultrafast solvation process around photo-excited aqueous halides.

[This corrects the article DOI: 10.1039/D4SC01912A.].

Real-time structural dynamics of the ultrafast solvation process around photo-excited aqueous halides.

This work investigates and describes the structural dynamics taking place following charge-transfer-to-solvent photo-abstraction of electrons from I and Br ions in aqueous solution following single- and 2-photon excitation at 202 nm and 400 nm, respectively. A Time-Resolved X-ray Solution Scattering (TR-XSS) approach with direct sensitivity to the structure of the surrounding solvent as the water molecules adopt a new equilibrium configuration following the electron-abstraction process is utilized to investigate the structural dynamics of solvent shell expansion and restructuring in real-time. The structural sensitivity of the scattering data enables a quantitative evaluation of competing models for the interaction between the nascent neutral species and surrounding water molecules.

Alteration of Electronic Band Structure a Metal-Semiconductor Interfacial Effect Enables High Faradaic Efficiency for Electrochemical Nitrogen Fixation.

The interface engineering strategy has been an emerging field in terms of material improvisation that not only alters the electronic band structure of a material but also induces beneficial effects on electrochemical performances. Particularly, it is of immense importance for the environmentally benign electrochemical nitrogen reduction reaction (NRR), which is potentially impeded by the competing hydrogen evolution reaction (HER). The main problem lies in the attainment of the desired current density at a negotiable potential where the NRR would dominate over the HER, which in turn hampers the Faradaic efficiency for the NRR.

Soft Phonon Modes Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance in AgCuTe.

Crystalline solids with intrinsically low lattice thermal conductivity (κ ) are crucial to realizing high-performance thermoelectric (TE) materials. Herein, we show an ultralow κ of 0.35 Wm  K in AgCuTe, which has a remarkable TE figure-of-merit, zT of 1.

Crystal Structure and Band Gap Engineering in Polyoxometalate-Based Inorganic-Organic Hybrids.

We have demonstrated engineering of the electronic band gap of the hybrid materials based on POMs (polyoxometalates), by controlling its structural complexity through variation in the conditions of synthesis. The pH- and temperature-dependent studies give a clear insight into how these experimental factors affect the overall hybrid structure and its properties. Our structural manipulations have been successful in effectively tuning the optical band gap and electronic band structure of this kind of hybrids, which can find many applications in the field of photovoltaic and semiconducting devices.

Effect of Nitrogen and Fluorine Co-substitution on the Structure and Magnetic Properties of Cr2 O3.

First-principles density functional calculations were carried out to determine the structure as well as electronic and magnetic properties of N and F co-substituted Cr2 O3 . The formation of strong CrN bonds upon substitution of oxygen with nitrogen leads to large distortions in the local structure and changes in magnetic moments, which are partly compensated by co-substitution with fluorine. The effects of spin-orbit coupling are relatively weak, but its combination with local structural distortions gives rise to canting of spins and an overall magnetic moment in N, F co-substituted Cr2 O3 .

Temperature dependent reversible p-n-p type conduction switching with colossal change in thermopower of semiconducting AgCuS.

Semiconductors have been fundamental to various devices that are typically operated with electric field, such as transistors, memories, sensors, and resistive switches. There is growing interest in the development of novel inorganic materials for use in transistors and semiconductor switches, which can be operated with a temperature gradient. Here, we show that a crystalline semiconducting noble metal sulfide, AgCuS, exhibits a sharp temperature dependent reversible p-n-p type conduction switching, along with a colossal change in the thermopower (ΔS of ~1757 μV K(-1)) at the superionic phase transition (T of ~364 K).

Effect of co-substitution of nitrogen and fluorine in BaTiO3 on ferroelectricity and other properties.

BaTiO3, with both nitrogen and fluorine substituted for oxygen, has been prepared and the properties of the doped material with the composition BaTiO2:8N0:1F0:1 have been studied. The color of the sample changes to light green on doping, accompanying a broad visible absorption band with its edge at 2.5 eV.