Studies on optical absorption and structural properties of Fe doped CdS quantum dots

Thambidurai, M.; Muthukumarasamy, N.; Agilan, S.; Murugan, N.; Arul, N. Sabari; Vasantha, S.; Balasundaraprabhu, R.

doi:10.1016/j.solidstatesciences.2010.06.020

Cited by 40 publications

(10 citation statements)

References 34 publications

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“…Wang et al 58 indicated The Journal of Physical Chemistry C ARTICLE that Mn doping could reduce the band gap of CdS from 3.54 to 3.01 eV. Thambidurai et al 59 and Zhang et al 60 reported that Fe and Ni doping are able to narrow the band gap of CdS, respectively.…”

Section: ' Computational Detailsmentioning

confidence: 99%

Study of Native Defects and Transition-Metal (Mn, Fe, Co, and Ni) Doping in a Zinc-Blende CdS Photocatalyst by DFT and Hybrid DFT Calculations

Zheng

et al. 2011

J. Phys. Chem. C

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We use first-principles DFT and hybrid DFT calculations to investigate the formation of native defects and transition-metal (Mn, Fe, Co, and Ni) doping in zinc-blende CdS and their effect on the electronic structures. Our results reveal that Cd vacancies, S vacancies, interstitial Cd, and interstitial S are dominant native defects, in good agreement with experimental results. Except interstitial S, other native defects do not contribute to visible light absorption. Transitionmetal dopants tend to substitute a lattice Cd atom under S-rich conditions and occupy a tetrahedral interstitial site under p-type and Cd-rich conditions. The doping becomes difficult with increasing the atomic number of the transition metal. Co doping does not contribute to visible light absorption. Mn, Fe, and Ni doping, especially interstitial Ni doping, is able to narrow the band gap, and thus, these transition metals are good dopant candidates to tailor the visible light absorption property of nanosized CdS photocatalysts.

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Section: ' Computational Detailsmentioning

confidence: 99%

Study of Native Defects and Transition-Metal (Mn, Fe, Co, and Ni) Doping in a Zinc-Blende CdS Photocatalyst by DFT and Hybrid DFT Calculations

Zheng

et al. 2011

J. Phys. Chem. C

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“…Due to the strong dependence of the optoelectronic properties of semiconductor nanoparticles on their size and shape, research on synthetic protocols has attracted the attention of many research groups around the world [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Growth dynamics of polyamidoamine dendrimer encapsulated CdS nanoparticles

Méndez

Sepúlveda

Manríquez

et al. 2012

Journal of Crystal Growth

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“…Fe based II-VI semiconductor materials such as Cd 1−x Fe x Te, Cd 1−x Fe x Se, Zn 1−x Fe x Te, Zn 1−x Fe x S and Cd 1−x Fe x S have been studied by many workers [9][10][11][12][13][14][15]. However reports on preparation, optical [14,15] and electron spin resonance (ESR) properties of Fedoped CdS nanopowders are few.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic studies on Fe3+ doped CdS nanopowders prepared by simple coprecipitation method

Sekhar

Rao

2012

Journal of Alloys and Compounds

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Studies on optical absorption and structural properties of Fe doped CdS quantum dots

Cited by 40 publications

References 34 publications

Study of Native Defects and Transition-Metal (Mn, Fe, Co, and Ni) Doping in a Zinc-Blende CdS Photocatalyst by DFT and Hybrid DFT Calculations

Study of Native Defects and Transition-Metal (Mn, Fe, Co, and Ni) Doping in a Zinc-Blende CdS Photocatalyst by DFT and Hybrid DFT Calculations

Growth dynamics of polyamidoamine dendrimer encapsulated CdS nanoparticles

Spectroscopic studies on Fe3+ doped CdS nanopowders prepared by simple coprecipitation method

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