Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Plasmon-mediated chemical reactions (PMCRs) are processes that make use of
nanostructure-based surface plasmons as mediators to redistribute and convert photon …

The strong interaction of electromagnetic fields with plasmonic nanomaterials offers
opportunities in various technologies that take advantage of photophysical processes …

Recent reports have shown that plasmonic nanostructures can be used to drive direct
photocatalysis with visible photons, where nanostructures act as the light absorber and the …

Catalysis plays a critical role in chemical conversion, energy production and pollution
mitigation. High activation barriers associated with rate-limiting elementary steps require …

The field of heterogeneous photocatalysis has almost exclusively focused on semiconductor
photocatalysts. Herein, we show that plasmonic metallic nanostructures represent a new …

Electronic structure calculations have become an indispensable tool in many areas of
materials science and quantum chemistry. Even though the Kohn–Sham formulation of the …

Hexagonal boron nitride (hBN) has recently emerged as a fascinating platform for room-
temperature quantum photonics due to the discovery of robust visible light single-photon …

Among the diverse and ever-expanding array of approaches to the electronic structure
problem, the rise of approximate density functional theory (DFT) as the method of choice for …

Engineering heterogeneous metal catalysts for high selectivity in thermal driven reactions
typically involves the synthesis of nanostructures with well-controlled geometries and …