Temperature-tuned band gap properties of MoS2 thin films

Band alignment type I, II transformations in Hf2CO2/MoS2 heterostructures using biaxial strain, external electric field, and interlayer coupling: a first principal investigation

“…S1, ESI†); the MoS 2 monolayer has a direct band gap of 1.78 eV, while the Hf 2 CO 2 monolayer has an indirect band gap of 0.90 eV at the PBE level of theory, which agrees well with the previously reported results. 17,57–59…”

“…S1, ESI †); the MoS 2 monolayer has a direct band gap of 1.78 eV, while the Hf 2 CO 2 monolayer has an indirect band gap of 0.90 eV at the PBE level of theory, which agrees well with the previously reported results. 17,[57][58][59] The lattice constants of the considered materials are close and the unit cell parameter mismatch (d) is calculated as:…”

Termal Buharlaştırma ile Üretilen Cu2-xSe İnce Filmlerin Yapısal, Morfolojik ve Optik Özellikleri Üzerine Araştırma

“…where 𝛼 is the absorption coefficient, t is the total thickness of the thin film. The most common method to estimate the optical bandgap (E g ) of a material is the Tauc relation and the expression for direct transition is as follows [19,23], (5)…”

First‐principles investigation of electronic and optical properties of H‐doped FeS 2

“…It is obvious that the Iron sulfide (FeS 2 ) is regarded as the electrocatalyst because the FeS 2 is benefit to promote the electronic transfer during the H 2 evolution 35,36 . For example, the previous calculated band gap of FeS 2 is 0.95 eV, 37 which is smaller than the band gap of MoS 2 (1.8 eV) 38 . Guo and Tong have been found that the prepared FeS 2 nano particle enhances the photocalatytic properties of splitting water and facilitates the hydrogen production in neutral electrolyte solution at room temperature 39 .…”