Revealing a Heavy-Atom Assisted Rotation Mechanism in the H + NHCl Multi-Channel Reaction.

Identifying atomic-level mechanisms in elemental chemical reactions is crucial for understanding complex reaction processes. This study focuses on the typical multichannel H + NHCl reaction, which plays a significant role in environmental science. High-level ab initio calculations determined seven distinct reaction pathways, leading to three product channels: H + NHCl, HCl + NH, and Cl + NH.

Engineering energy bands in 0D-2D hybrid photodetectors: Cu-doped InP quantum dots on a type-III SnSe/MoTe heterojunction.

Two-dimensional (2D) self-driven photodetectors have emerged as a compelling area of research, offering advantages such as miniaturization, weak light detection, high photosensitivity, and low noise levels. However, current type-III 2D heterojunction photodetectors often suffer from low self-driven responsivity and medium / ratios. In this work, a novel device architecture that addresses these challenges is constructed by incorporating Cu-doped InP/ZnSeS/ZnS core-shell quantum dots (QDs) onto a type-III SnSe/MoTe 2D heterojunction.

Omicron Variant of SARS-CoV-2 Pandemic in Chinese Kidney Transplantation Population: A Nine-month Follow-up in Repeated Infection and Changes in Kidney Function.

Background: China experienced one of the largest spikes in COVID-19 several months ago, followed by multiple rounds of reinfections. COVID-19 predisposes to the development of acute kidney injury (AKI) which has a higher developing risk in organ transplant recipients. However, few studies reported multiple infections and changes in renal function in the kidney transplant population in China.

Reconfigurable Vertical Phototransistor with MoTe Homojunction for High-Speed Rectifier and Multivalued Logical Circuits.

The most reported two-dimensional (2D) reconfigurable multivalued logic (RMVL) devices primarily involve a planar configuration and carrier transport, which limits the high-density circuit integration and high-speed logic operation. In this work, the vertical transistors with reconfigurable MoTe homojunction are developed for low-power, high-speed, multivalued logic circuits. Through top/bottom dual-gate modulation, the transistors can be configured into four modes: P-i-N, N-i-P, P-i-P, and N-i-N.

Accurate ab initio based potential energy surface and kinetics of the Cl + NH3 → HCl + NH2 reaction.

The gas-phase reaction Cl + NH3 → HCl + NH2 is a prototypical hydrogen abstraction reaction, whose minimum energy path involves several intermediate complexes. In this work, a full-dimensional, spin-orbit corrected potential energy surface (SOC PES) is constructed for the ground electronic state of the Cl + NH3 reaction. About 52 000 energy points are sampled and calculated at the UCCSD(T)-F12a/aug-cc-pVTZ level, in which the data points located in the entrance channel are spin-orbit corrected.

Theoretical studies on the kinetics and dynamics of the BeH + HO reaction: comparison with the experiment.

The reaction of BeH with background gaseous HO may play a role in qubit loss for quantum information processing with Be as trapped ions, and yet its reaction mechanism has not been well understood until now. In this work, a globally accurate, full-dimensional ground-state potential energy surface (PES) for the BeH + HO reaction was constructed by fitting a total of 170 438 energy points at the level of RCCSD(T)-F12/aug-cc-pVTZ using the fundamental invariant-neural network method. The total root-mean-square error of the final PES was 0.

Hierarchical Porous Protein Scaffold Templated from High Internal Phase Emulsion Costabilized by Gelatin and Gelatin Nanoparticles.

Recently, three-dimensional (3D) scaffolds produced using poly-Pickering high internal phase emulsions (polyHIPEs) technology are particularly attractive in biomedical application. However, until now the most investigated polyHIPEs are hydrophobic composites originating from synthetic polymers. Here we present an investigation of a hierarchical porous protein scaffold templated from oil-in-water (O/W) HIPEs costabilized by fully natural materials, gelatin, and gelatin nanoparticles.