Ab-initio and experimental investigations on Au incorporated MoS2 for electronic and optical response

被引：13

作者：

Akhtar, Parveen ^{[1
]}

Khan, M. Junaid Iqbal ^{[1
]}

Kanwal, Zarfishan ^{[1
]}

Ramay, Shahid M. ^{[2
]}

Mahmood, Asif ^{[3
]}

Saleem, Murtaza ^{[4
]}

机构：

[1] Bahauddin Zakariya Univ, Dept Phys, Lab Theoret & Expt Phys, Multan 60800, Pakistan

[2] King Saud Univ, Coll Sci, Phys & Astron Dept, Riyadh 11451, Saudi Arabia

[3] King Saud Univ, Coll Engn, Chem Engn Dept, Riyadh 11451, Saudi Arabia

[4] Lahore Univ Management Sci, Dept Phys, SBASSE, Lahore 54792, Pakistan

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2021年 / 877卷

关键词：

MoS2; Au:MoS2; Thin films; Ab-initio calculations; Electronic properties; Optical properties; DOPED MOS2; GRAPHENE; STRAIN; SE;

D O I：

10.1016/j.jallcom.2021.160244

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The ab-initio calculations and experimental investigations were performed for the study of Au incorporated MoS2 thin films. The electronic and optical properties were predicted using simulations with density functional theory based on Wien2k code. Perdew-Burke-Ernzerhof function under generalized gradient approximation was implemented for the exchange and correlation function. MoS2 and Au:MoS2 thin films were grown on Si substrates using magnetron sputtering deposition. Morphology and elemental composition analysis reveal the formation of uniform, smooth, and phase pure growth of thin films. A strong correlation in electronic and optical parameters was found in the outcomes of simulations and experimental study. The increase of optical absorption response in visible regime makes the Au incorporated MoS2 composition more favorable for photovoltaic applications. (C) 2021 Elsevier B.V. All rights reserved.

引用

页数：7