Rare earth elements sustain the Information Age, and securing a supply of these metals has become a matter of national and economic security. They're ubiquitous in our smart technologies, ...

We investigated the electronic structure and charge transport properties of single-molecule junctions of a series of acene-type molecules (i.e., pyrazine, quinoxaline, and phenazine) with different ...

The wave functions thus obtained are used for calculating dipole matrix elements to analyze the degree of linear polarization and allowed transitions between multivalence band and conduction band. The ...

Accurately modeling the electronic structure of water across scales, from individual molecules to bulk liquid, remains a grand challenge. Traditional computational methods face a critical trade-off ...

To tackle this problem, in this letter, we propose a green heterogeneous-IRS (HE-IRS) structure consisting of both dynamically tunable elements (DTEs) and statically tunable elements (STEs).