Photocatalytic water-splitting for hydrogen generation by sunlight provides a new route to
address energy and environmental problems. In recent years, tremendous efforts have been …

Hybrid halide perovskites are now superstar materials leading the field of low-cost thin film
photovoltaics technologies. Following the surge for more efficient and stable 3D bulk alloys …

Moiré patterns of transition metal dichalcogenide heterobilayers have proved to be an ideal
platform on which to host unusual correlated electronic phases, emerging magnetism and …

Implementing nonlinear optical components in nanoscale photonic devices is challenged by
phase-matching conditions requiring thicknesses in the order of hundreds of wavelengths …

The WIEN2k program is based on the augmented plane wave plus local orbitals (APW+ lo)
method to solve the Kohn–Sham equations of density functional theory. The APW+ lo …

EPW is an open-source software for ab initio calculations of electron–phonon interactions
and related materials properties. The code combines density functional perturbation theory …

When monolayers of two-dimensional (2D) materials are stacked into van der Waals
structures, interlayer electronic coupling can introduce entirely new properties, as …

Interlayer excitons, electron-hole pairs bound across two monolayer van der Waals
semiconductors, offer promising electrical tunability and localizability. Because such …

Abstract Interlayer excitons (ILXs)—electron–hole pairs bound across two atomically thin
layered semiconductors—have emerged as attractive platforms to study exciton …

Abstract Since penta-graphene (PG), a two-dimensional (2D) carbon allotrope exclusively
composed of five-membered rings, was proposed in 2015, a great deal of effort has been …