A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy

Transition Metal Dichalcogenides for the Application of Pollution Reduction: A Review

“…Ma et al [170] studied the effects of defects on WSe2 monolayer sensor and found that Se vacancies can improve sensing ability of H2O and N2 molecules. Further interest gas detection also extends towards Cl2, PH3, AsH3, BBr3, and SF4 gas molecules on MoS2 [171]. More materials will be expected to be discovered for gas detection applications in the future.…”

Porous Triptycene Network Based on Tröger’s Base for CO2 Capture and Iodine Enrichment

“…To date, abundant inorganic porous sorbents [active carbon, zeolite, metal–organic frameworks (MOFs), etc.] were applied in gas absorption and removing harmful organic vapor or other materials. − However, these sorbents generally undergo the defects of weak interaction, limited micropore structure, or being moisture-sensitive and thus hinder their practical applications . As for organic porous sorbents, microporous organic polymers (MOPs) are deemed promising porous sorbents due to their microporous-rich structure, superior physicochemical stability, high specific surface area, tunable surface chemistry, and plentiful varieties, which have been widely applied in CO 2 and toxic gas adsorption. − To obtain advanced MOP materials, three-dimensional (3D) rigid building blocks were utilized to design and construct 3D MOPs with a higher specific surface area and porosity. , …”

First Principle Study of Mo and S Vacancy Effect in Armchair and Zigzag MoS2 2D Material For Gas Sensing Application

“…Two dimension (2D) materials consist of single or few layer planer crystals which hold a lot of attention for the evolution of future nanodevice applications due to their fascinating and unique properties like high mobility, large surface to volume ratio, and excellent electronic and mechanical properties. [1][2][3] These properties endue 2D materials for wide potential applications such as sensors, nanoelectronic devices, solar energy conversion, and catalysis. 2,4,5 Among 2D materials,graphene and 2D materials from Transition Metal Dichalcogenides (TMDs) have been used in many applications since they earned more attention for their unique and fascinating properties.…”

“…6,7 TMDs are materials thatare in the form of MX 2 where M representsthe transition metal element like Mo or W and X represents the chalcogen element like S, Se, or Te. 3,5,8 TMDs possess some interesting features such as high surface-to-volume ratio, high carrier mobility, high thermal stability, highchemical stability, and fast response time. 3,[8][9][10] Due to these properties, TMDs are considered to be a good material for sensing applications.…”

“…3,5,8 TMDs possess some interesting features such as high surface-to-volume ratio, high carrier mobility, high thermal stability, highchemical stability, and fast response time. 3,[8][9][10] Due to these properties, TMDs are considered to be a good material for sensing applications. 11,12 Among TMD materials, MoS 2 (molybdenum disulfide) has been considered to be the most suitable material for sensing application since it possesses superior mechanical and electrical properties, 12 tunable bandgap when compared with graphene, 1,10 and have good thermal stability up to 400 °C.…”