Imprinting vision as memory is a core attribute of human cognitive learning. Fundamental to
artificial intelligence systems are bioinspired neuromorphic vision components for the visible …

Solar cells and optoelectronic devices are exposed to heat that degrades performance.
Therefore, elucidating temperature-dependent charge carrier dynamics is essential for …

From the viewpoint of sustainability, graphene-like metal-free 2D nanomaterials (GMFs) hold
great potential in different photocatalytic fields due to their distinct structures and properties …

The past decade has witnessed the rise of low-dimensional materials, such as graphene,
transition metal dichalcogenides, black phosphorus, organic–inorganic hybrid perovskites …

Synergy of nonadiabatic molecular dynamics with real-time time-dependent density
functional theory has led to significant progress in modeling excited-state dynamics in …

Two-dimensional (2D) Ruddlesden–Popper perovskites form a new class of solar energy
materials with high performance, low cost and good stability. Nonradiative electron–hole …

Nonradiative charge-carrier recombination in transition-metal dichalcogenide (TMD)
monolayers severely limits their use in solar energy conversion technologies. Because …

Moiré pattern superlattice formed by 2D van der Waals layered structures have attracted
great attention for diverse applications. In experiments, the enhancement of catalytic …

Halide interstitial defects severely hinder the optoelectronic performance of metal halide
perovskites, making research on their passivation crucial. We demonstrate, using ab initio …

Using first-principles calculations in combination with nonadiabatic molecular dynamics
(NAMD), we propose novel heterostructures of carbon nitride (C7N6) and the Janus …