High-Yield Production of Quantum Corrals in a Surface Reconstruction Pattern.

The power of surface chemistry to create atomically precise nanoarchitectures offers intriguing opportunities to advance the field of quantum technology. Strategies for building artificial electronic lattices by individually positioning atoms or molecules result in precisely tailored structures but lack structural robustness. Here, taking the advantage of strong bonding of Br atoms on noble metal surfaces, we report the production of stable quantum corrals by dehalogenation of hexabromobenzene molecules on a preheated Au(111) surface.

Vacancy-Regulated Charge Carrier Dynamics and Suppressed Nonradiative Recombination in Two-Dimensional ReX (X = S, Se).

Point defects in semiconductors usually act as nonradiative charge carrier recombination centers, which severely limit the performance of optoelectronic devices. In this work, by combining time-domain density functional theory with nonadiabatic molecular dynamics simulations, we demonstrate suppressed nonradiative charge carrier recombination and prolonged carrier lifetime in two-dimensional (2D) ReX (X = S, Se) with S/Se vacancies. In particular, a S vacancy introduces a shallow hole trap state in ReS, while a Se vacancy introduces both hole and electron trap states in ReSe.

Topological band transition between hexagonal and triangular lattices with (,) orbitals.

By combining tight-binding modelling with density functional theory based first-principles calculations, we investigate the band evolution of two-dimensional (2D) hexagonal lattices with (,) orbitals, focusing on the electronic structures and topological phase transitions. The (,)-orbital hexagonal lattice model possesses two flat bands encompassing two linearly dispersive Dirac bands. Breaking the A/B sublattice symmetry could transform the model into two triangular lattices, each featuring a flat band and a dispersive band.

First-principles screening of single transition metal atoms anchored on two-dimensional CN for the nitrogen reduction reaction.

Compared to the Haber-Bosch process, the electrochemical nitrogen reduction reaction (NRR) can convert N into NH under ambient conditions, and thus has attracted considerable attention in recent years. However, it remains a challenge to fabricate NRR catalysts with high faradaic efficiency and yield rate. In this work, by systematic first-principles calculations, we investigate the structure, stability and catalytic performance of single metal atoms anchored on porous monolayer CN (M@CN) for the electrochemical NRR.

Time-Domain Ab Initio Insights into the Reduced Nonradiative Electron-Hole Recombination in ReSe/MoS van der Waals Heterostructure.

Two-dimensional (2D) ReSe has attracted considerable interest due to its unique anisotropic mechanical, optical, and exitonic characteristics. Recent transient absorption experiments demonstrated a prolonged lifetime of photoexcited charge carriers by stacking ReSe with MoS, but the underlying mechanism remains elusive. Here, by combining time-domain density functional theory with nonadiabatic molecular dynamics, we investigate the electronic properties and charge carrier dynamics of 2D ReSe/MoS van der Waals (vdW) heterostructure.

Effect of Aeolosoma hemprichi on excess activated sludge reduction.

In order to stabilize the growth of A. hemprichi and minimize the sludge production through biological predation, A. hemprichi was inoculated in batch and continuous experiments to investigate the growth characteristics and the effect on sludge reduction in this study.