Specifically, transition metal dichalcogenides (TMDs) based toxic gas sensors have been studied more efficiently as they exhibit ultrahigh surface dimensions, specific chemical reactivity and intriguing sensing properties with better sensitivity and selectivity 1, 2, 3, 4, 5, 6, 7, 8. With progress in sensing technology over the past decade, researchers have focused mainly on toxic gas sensing mechanisms, especially N and C based toxic gases such as NO, NO 2, CO and CO 2 on 2D nanomaterials. The exponential growth of designing extraordinary nano-dimensional integrated electronic and optoelectronic devices leads to unbeatable progress in the commercial arena. Generally, these interesting results of methane sensing study provoke Pd/Pt decorated MoSSe monolayers to be good sensing nano-device. This result identifies sensitivity response in the presence of methane which may detect CH 4 gas easily in visible region. Moreover, optical dielectric response alters strongly in the visible region after activation of CH 4 on to Pd/Pt decorated MoSSe monolayers. When CH 4 is activated on Pd/Pt decorated monolayers, band gaps vary with marginal alterations and transform to direct type. However, both sites S and Se are favorable for CH 4 adsorption. Though we found maximum adsorption energies of − 0.674 and − 0.636 eV for adsorption on Se site of Pd/Pt decorated MoSSe monolayers, the overall sensing response also reveals high sensitivity for Se surface. Further, adsorption strength of CH 4 to monolayers is validated by sensing parameters such as adsorption energy, recovery time, charge transfer and work function. This value decreases in the presence of Pd/Pt adatom. The pristine MoSSe monolayer is semiconductor having 1.52 eV direct band gap. The negative formation energies confirm structural stability of considered monolayers. Considering the current breakthrough in gas sensor technology, we have examined impact of CH 4 in the vicinity of pristine MoSSe and Pd/Pt decorated MoSSe monolayers using first principles approach.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |