Strain Engineering of Sc2CBr2 MXene Monolayer by First Principle Approach

Enhanced photocatalytic performance of a stable type–II PtSe2/GaSe van der Waals heterostructure

“…47 The optical properties were obtained by a larger Monkhorst k -point mesh of 32 × 32 × 1. The energy loss spectrum L ( ω ), refractive index η ( ω ), reflectivity R ( ω ), optical absorption coefficient α ( ω ), and extinction coefficient K ( ω ) are calculated using the real and imaginary parts of the dielectric function and their expressions are shown in eqn (1)–(5) 47–49 where .…”

Optoelectronic and photocatalytic behaviour of a type-II GaAlS2/HfS2 heterostructure: ab initio study

“…The remarkable properties exhibited by 2D materials such as large surface area with increased sites of reaction and superior carrier mobility suggest their significant promise in serving as photocatalysts as well as in optoelectronic devices. Numerous 2D materials, such as halides [3][4][5], Mxenes [6][7][8], transition metal dichalcogenides (TMDs) [9,10], phosphorene [11], silicene [12], Janus materials [13] etc are now accessible which exhibits semiconductor characteristics. Various 2D materials have been found to possess the capability to photocatalytically decompose water like PtS 2 [14], MoS 2 [15], Janus MoSSe [16], etc.…”

Solar energy harvesting by a PtS2/ZrS2 van der Waals heterostructure

“…In contrast, solar cells do not impose additional requirements on semiconducting materials. Two-dimensional (2D) materials, such as transition metal dichalcogenides (TMDs), 1 MXenes, 2 layered halides, 3 and Janus 4–6 materials, have been found to strongly interact with electromagnetic (EM) waves, making them potential candidates for photovoltaic applications.…”