Unveiling the Potential Photothermal Activity of Vanadium Carbide for Driving Chemical Reactions.

Photothermally activated chemical reactions play a pivotal role in a wide range of applications, highlighting the need for efficient photothermal agents. The photothermal effect, which utilizes dominant nonradiative deexcitation mechanisms, has been extensively demonstrated in nanoscale systems, including plasmonic metals, inorganic semiconductors, organic materials, and polymers. However, the development of these photothermal materials often requires intricate fabrication and separation techniques, presenting significant challenges for practical implementation.

Re-examining the giant magnetization density in α''-FeN with the SCAN+ method.

We present an in-depth discussion of the magnetic ground state of α''-FeN within the framework of the density functional theory (DFT). The exchange-correlation effects are treated using a variety of schemes, including the local-spin-density approximation, the generalized-gradient approximation, and the Strongly-Constrained-and-Appropriately-Normed (SCAN) scheme. We also delineate effects of adding an on-site interaction parameter on the Fe sites.