Influence of Al doping on Optical properties of CdS/PVA Nanocomposites: Theory and Experiment

被引：0
|
作者：
Bala, Vaneeta [1 ]
Tripathi, S. K. [1 ]
Kumar, Ranjan [1 ]
机构：
[1] Panjab Univ, Dept Phys, Chandigarh 160014, India
来源：
SOLID STATE PHYSICS: PROCEEDINGS OF THE 58TH DAE SOLID STATE PHYSICS SYMPOSIUM 2013, PTS A & B | 2014年 / 1591卷
关键词：
Nanocomposites; Density of states; Optical Properties; PSEUDOPOTENTIALS; NANOPARTICLES;
D O I：
10.1063/1.4872637
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
In the present work theoretical and experimental studies of aluminium doped cadmium sulphide polyvinyl alcohol (Al:CdS/PVA) nanocomposites have been carried out. Tetrahedral cluster AlCd9S2(SH)(18)](1-) has been encapsulated by small segments of polyvinyl alcohol (PVA) chains in order to simulate experimental environment of nanocomposites. Density functional theory (DFT) using local density approximation (LDA) functionals is employed to study the broadening of band gap upon ligation of nanoclusters. We have used in situ chemical route to synthesize nanocomposites. Optical band gap has been calculated from both experimental and theoretical approach.
引用
收藏
页码：456 / 458
页数：3
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