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The high flexibility of organic molecules offers great potential for designing the optical properties of light-active materials for the next generation of optoelectronic and photonic applications. However, despite successful implementations…
We predict a fast relaxation of photo-excited carriers in monolayer transition metal dichalcogenides (TMDCs), which is mediated by the emission of longitudinal optical (LO) phonons. By evaluating Born effective charges for ${\rm MoS_2,…
Laser-assisted chemical modification is demonstrated on ultra-thin transition-metal dichalcogenides (TMDs), locally replacing selenium by sulfur atoms. The photo-conversion process takes place in a controlled reactive gas environment and…
The functioning of 2D d2, d3, and d4 transition metal carbides as CO2 conversion catalysts has been proved by well resolved density functional theory (DFT) and DFT+U theoretical calculations. Whilst MXenes from the d2 series (M = Ti, Zr,…
Light modulation is an essential operation in photonics and optoelectronics. With existing and emerging technologies increasingly demanding compact, efficient, fast and broadband optical modulators, high-performance light modulation…
2D organic-inorganic hybrid perovskites (2DHPs) consist of alternating anionic metal-halide and cationic organic layers. They have widely tunable structural and optical properties. We review the role of the organic cation in defining the…
The solution to the long standing problem of the cohesion of organic chain compounds is proposed. We consider the tight-binding dielectric matrix with two electronic bands per chain, determine the corresponding hybridized collective modes,…
Transition metal dichalcogenides (TMDCs) combine both strong light-matter-interaction and strong Coulomb-interaction for the formation of optically excitable excitons. Through radiative feedback control, a mechanism to control the linewidth…
Positive terahertz photoconductivity is observed at room temperature in CdHgTe thin films with different Cd contents. We show that electron gas heating caused by Drude-like absorption results in positive photoconductivity because of the…
Many interstellar complex organic molecules (COMs) are believed to be produced on the surfaces of icy grains at low temperatures. Atomic carbon is considered responsible for the skeletal evolution processes, such as C-C bond formation, via…
Cooperative effects allow for fascinating characteristics in light-matter interacting systems. Here, we study naturally occurring superradiant coupling in a class of quasi-two-dimensional, layered semiconductor systems. We perform optical…
We report new computational and experimental evidence of an efficient and astrochemically relevant formation route to formaldehyde (H$_2$CO). This simplest carbonylic compound is central to the formation of complex organics in cold…
The two-dimensional character and reduced screening in monolayer transition-metal dichalcogenides (TMDs) lead to the ubiquitous formation of robust excitons with binding energies orders of magnitude larger than in bulk semiconductors.…
Monolayer transition metal dichalcogenides (1L-TMDs) have tremendous potential as atomically thin, direct bandgap semiconductors that can be used as convenient building blocks for quantum photonic devices. However, the short exciton…
Transition metal dichalcogenides (TMDs) are emerging as promising two-dimensional (2d) semiconductors for optoelectronic and flexible devices. However, a microscopic explanation of their photophysics -- of pivotal importance for the…
Two-dimensional Janus transition-metal chalcogenide -hydrides (2D-JTMCs) feature a three layered structure, with a central layer of transition metal atoms, with chalcogenides below and hydogens above. This asymmetry endows 2D-JTMCs with…
Due to the spatial confinement, two-dimensional metal chalcogenides display an extraordinary optical re-sponse and carrier transport ability. Solution-based synthesis techniques such as colloidal hot injection and ion exchange provide a…
Two-dimensional (2D) layered nanomaterials heterostructures, arising from the combination of 2D materials with other low-dimensional species, feature large surface area to volume ratio, which provides a high density of active sites for…
Aiming towards materials design for methane activation, we study temperature ($T$), pressure ($p$) dependence of the composition, structure, and stability of metal oxide clusters in a reactive atmosphere using a prototypical model catalyst…
This article explores the recent advancements in atomically thin two-dimensional transition metal dichalcogenides (2D TMDs) and their potential applications in various fields, including nanoelectronics, photonics, sensing, energy storage,…