Investigation of structural and luminescence properties of nanocrystalline tungsten-incorporated molybdenum disulphide ternary compounds: an experimental and DFT study

Bulletin of Materials Science

P CHETRI^3¹  L CHETIA^1,2²  D KALITA^1³ 

[1]Department of Physics, D.R. College, Golaghat 784028, India^3

[2]Department of Physics, PDUAM, Dalgaon, Darrang 784116, India^2

[3]Department of Physics, Tezpur University, Napaam 784028, India^1

关键词: Semiconductor;    photoluminescence;    density functional theory;    band nesting.;   

DOI  :  

学科分类：材料工程

来源: Indian Academy of Sciences

【 摘 要 】

The present manuscript reports the synthesis of tungsten-incorporated molybdenum disulphide ternary compounds in particle form at the nanoscale using existing solid state reactions, followed by ultrasonication and a densityfunctional theory (DFT) investigation of the compound system. The effect of W in the W-inserted MoS$_2$ ternary compound system is the subject of current research. A comparative study shows enhanced photoluminescence (PL) at roomtemperature in the as-synthesized transition metal dichalcogenide (TMD) ternary compound. The compositional and structural characterization studies of the materials are performed using XRD, SEM, EDX, TEM and Raman spectroscopy. We have observed that a combination of W and S leads to better crystallinity than the combination of Mo and S in the compound system. The high band gap (BG) energy also confirms the nanoscale dimension of the material system which may be attributed to the formation of excitonic states from spin splitting and band nesting effects. A theoretical investigation of the effect of Win the MoS$_2$system using DFT also reveals that insertion of Wleads the system toward a direct BG semiconductor (SC). Multiple BGs of the material in the visible light range as found by UV–Visible (UV–Vis) spectroscopy, suggest applicability of these materials in luminescence devices and photocatalytic activity.

【 授权许可】

CC BY