Effect of Ag doping concentration on the electronic and optical properties of anatase TiO2: a DFT-based theoretical study

The electronic and optical properties of pure and Ag-doped anatase TiO₂ have been calculated by spin-polarized density functional theory. Ag-doped TiO₂ with different Ag doping concentrations ranging from 2.08 to 8.33 % was investigated, and the electronic and optical properties evaluated. Substitutional Ag doped at Ti sites introduced Ag 4d states just above the valence-band maximum, which may help in shifting visible-light excited electrons to the conduction band. Our results show that increasing the doping concentration will enhance visible-light absorption up to Ag doping concentration of 6.25 %; however, further increase of the doping concentration leads to a decrease in visible-light absorption. These results indicate the possibility of tailoring the band gap and optical absorption of TiO₂ doped with Ag by varying the doping concentration. The enhanced visible-light absorption for Ag-doped TiO₂ with doping concentration of 6.25 % may be due to the existence of widely distributed Ag 4d states above the valence-band maximum and the optimal doping concentration. Ag doping shifted the absorption edge of TiO₂ towards visible light, consistent with recent experimental results. Our calculation results provide a reasonable explanation for the experimental findings.     

Influence of tungsten doping concentration on the electronic and optical properties of anatase TiO2

The structural, electronic and optical properties of tungsten-doped TiO₂ have been investigated using density functional theory with plane wave basis sets and ultrasoft pseuodopotential. Substitutional W doping at Ti sites create W 5d states just below the conduction band minimum while interstitial W doping gives isolated W 5d states in the middle of forbidden region. Averaged bond lengths show that W doping at Ti sites produce minimum structural distortion as compared to the interstitial W-doped TiO₂. Substitutional W-doped TiO₂ has better visible light absorption compared to interstitial W-doped TiO₂ and has stable configuration which provide reasonable explanation for the experimental findings. Tungsten doping in TiO₂ with different doping concentrations is investigated as an enabling concept for enhancing the visible light absorption. Optical properties show that optimal W doping concentration would improve the visible light absorption. 2.08% W doping concentration gives strong visible and ultraviolet light absorption among all doped models found consistent with experiments.     

Natural radioactivity in marble stones- Jordan

Natural radioactivity has been measured in marble stone samples collected from Dabaa'h, Ajloun and Azrak areas using a gamma spectroscopy technique. The measured ²²⁶Ra activities in the stones collected from Dabaa'h quarries varied from 264.9 Bq kg⁻¹ to 369.5 Bq kg⁻¹. In samples from Ajloun and Azrak the maximum values of ²²⁶Ra were 28.3 Bq kg⁻¹ and 23.41 Bq kg⁻¹, respectively. The measured values of ²³²Th were less than 17.89 Bq kg⁻¹. The average values of the radium equivalent activities as well as external and internal hazard indices were also calculated. It was observed that for marble stones from Dabaa'h area, estimated average value of the external hazard index is 0.873 and that of internal hazard index is 1.71.     

Determination of the calibration factor for CR-39 based indoor radon detector

CR-39 based radon detectors are widely used in measuring indoor radon. In this regard, different groups have developed their own systems. However, before using any system for indoor radon measurements, it has, first, to be calibrated with a known source of radon. In the current study, CR-39 based NRPB type radon detector has been calibrated and presented. In this regard, about 200 holders for CR-39 were obtained from the Radiation Protection Division of the Health Protection Agency (former NRPB), UK and several thousand more similar detector holders, hereafter called NRPB type holders, were fabricated locally in Pakistan. Uranium ore samples of known grade were placed into the plastic containers of volume 5.4 × 10³ cm³ and CR-39 detectors were placed in the NRPB type holders and were then installed into the containers at a distance of 25 cm from the surface of the known grade ore samples. The containers were hermetically sealed and the detectors were allowed to expose to radon for 3 weeks. After 16 h etching in 25 % NaOH at 80 °C, the measured track densities were related to the radon concentration. The calibration factor of 2.563 tracks cm^?2 h^?1/kBq m^?3 was obtained.     

Natural radioactivity in sand samples collected along the bank of river Indus in the area spanning over Gilgit to Lowarian, Pakistan: assessment of its radiological hazards

Sand is extensively used in construction of buildings. The presence of natural radioactivity in it results in internal and external exposure to the general public. Therefore, it is desirable to determine the concentration of naturally occurring radio-nuclides, namely ²³²Th, ²²⁶Ra and ⁴⁰K in sand. In this regard, in continuation of our earlier studies, 42 sand samples were collected from fourteen different locations along the banks of river Indus from Gilgit to Lowarian in the northern part of Pakistan covering an area of ~500 km. In order to measure the specific activities in these samples, a P-type coaxial high purity germanium based gamma-ray spectrometer was used. Average values of the measured activities of ²²⁶Ra, ²³²Th and ⁴⁰K were found to be 45.6 ± 3, 74.73 ± 3 and 339.8 ± 3.6 Bq kg^?1, respectively which results in an average absorbed dose rate 83.54 nGy h^?1. From the measured activities, average radium equivalent activity was found to be 178.59 Bq kg^?1. External and internal hazard indices were also calculated and found to be 0.48 and 0.61, respectively. Average effective dose expected to be received due to the gamma rays was 0.26 mSv y^?1. Measured natural radioactivity, hazard indices and effective doses received by the population were found to be within the recommended limits.     

A CR-39 based thermal neutron dosimeter

Both chemically and electrochemically etched CR-39 detectors are used for the detection of fast neutrons. In practical situations, fast neutrons are always accompanied by thermal neutrons. Therefore, the response of the CR-39 based dosimeter has to be extended to thermal neutrons. To do so, a radiator/converter like LiF is introduced in front of the CR-39 detector and an optimum thickness of the LiF film is determined so that a response similar to that of the fast neutrons is achieved. Thin films of natural LiF were prepared and the response of the CR-39 detector was studied as a function of the film thickness.     

Assessment of the toxicity level of an industrial eco-system for its hazardous metals

Pakistan is an agricultural country, yet it is facing a serious threat due to the shortage of water resources and degradation of the agricultural land by the pollution of industrial effluents. A limited number of the current industries are equipped with proper operating treatment plants. Generally, the untreated effluents are disposed off to the open environment which is used for irrigation purposes. Therefore, vegetables and crops grown around the industrial areas is a major potential source of metal poisoning which pose a serious risk to the general public. Hence, study of the toxicity level in vegetables and crops is highly desirable. In this regard, systematic studies have been carried out to determine concentration levels of toxic elements in the samples of vegetables, crops, effluents and soil collected from the industrial areas of the Faisalabad. After processing, these samples were analyzed using neutron activation analysis and atomic absorption spectrometric techniques. The highest concentrations of toxic metals were observed for As (2.73 ± 0.34) in cabbage, Cd (1.5 ± 0.1), Ni (5.1 ± 0.9) and Pb (4.3 ± 0.2) in corn, Co (0.65 ± 0.02), and Sb (0.09 ± 0.01) in carrot, Cr (9.63 ± 1.3), Mn (46.5 ± 4.2) and Se (1.03 ± 0.1) in millet, Cu (11.3 ± 1.1) in tomato vegetables and crop samples. Although, the observed toxicity levels in vegetables and crop samples were higher than those grown in non-industrial areas, yet these toxicity levels are within the safe recommended limits.     

Geological and radiological studies of the Mount Arafat, Mekkah, Saudi Arabia

Mount Arafat is a sacred place for Muslims. It has been classified as a granodiorite rock which mainly consists of feldspar and quartz, muscovite, etc. During the Hajj and Umra, Muslims visit this holly place and stay there for some time. In order to study the geology and thermal history as well as to assess the radiological hazards due to the presence of primordial radionuclides, systematic studies using petrographic, fission track dating and γ-spectrometric (HPGe) techniques were carried out. Our study yielded fission track age of 9.13 ± 1.05 Ma of the Mount Arafat granodiorite. Rifting, magmatism, volcanism and sea floor spreading that resulted in the formation of Red Sea seems may have altered the original age of the Arafat granodiorite under study to 9.13 ± 1.05 Ma. Measured radioactivity concentrations due to ²²⁶Ra, ²³²Th and ⁴⁰K were found to be 10.75 ± 3.92, 29.21 ± 4.34 and 664.49 ± 7.45 Bq kg^?1, respectively. From the measured radioactivity, gamma index (Iγ) and radium equivalent (Ra_eq) were calculated as 0.402 and 103.23 Bq kg^?1 whereas outdoor external dose (D_out) and annual effective dose (E_out) were estimated to be 40.30 nGyh^?1 and 0.045 mSvy^?1 respectively. All the above mentioned values are well below the recommended limits. The Mount Arafat thus does not pose any radiological health hazard to the general public.     

Effect of gamma energy, temperature and shelf life on the response of gamma and BD-100R neutron bubble detectors

The use of commercially available bubble detectors for gamma and neutron detection has been reported by several groups. We have carried out systematic investigations to study the response of gamma bubble detector as a function of energy, the effect of waiting time on sensitivity of BD-100R neutron bubble detector and the effect of shelf life on both types of bubble detectors. Our results show that the response of the gamma bubble detector is energy dependent. Waiting time of up to 260 hours for BD-100R neutron detector has no significant effect. Both the detectors have a limited shelf life. These factors must be taken into account while using these detectors.