All Outputs (2)

First-principles investigation of the interaction between pentacene molecules and monolayer transition metal dichalcogenides (2024)
Thesis
Black, E. J. First-principles investigation of the interaction between pentacene molecules and monolayer transition metal dichalcogenides. (Thesis). Keele University. Retrieved from https://keele-repository.worktribe.com/output/1018715

The search for new materials for photonic applications continues to expand, and one promising route is that of van der Waals heterostructures. Assembled layer by layer from atomically thin materials, there are combinations of materials with promising... Read More about First-principles investigation of the interaction between pentacene molecules and monolayer transition metal dichalcogenides.

Interaction between pentacene molecules and monolayer transition metal dichalcogenides (2023)
Journal Article
Black, E., Kratzer, P., & Morbec, J. M. (2023). Interaction between pentacene molecules and monolayer transition metal dichalcogenides. Physical Chemistry Chemical Physics, 25(43), 29444-29450. https://doi.org/10.1039/d3cp01895d

Using first-principles calculations based on density-functional theory, we investigated the adsorption of pentacene molecules on monolayer two-dimensional transition metal dichalcogenides (TMD). We considered the four most popular TMDs, namely, MoS2,... Read More about Interaction between pentacene molecules and monolayer transition metal dichalcogenides.