http://nopr.niscpr.res.in/handle/123456789/43483 Mon, 12 Oct 2026 21:19:08 GMT 2026-10-12T21:19:08Z http://nopr.niscpr.res.in/handle/123456789/43490 Title: Calcium oxalate crystallization in SDS solutions Authors: Li, Yan; Lu, Xifeng; Yang, Xiaodeng; Wang, Yulin Abstract: Sodium dodecyl sulfate (SDS) and hydroxy isopropyl chitosan (HPCHS) are employed as modulation agents for crystallization of CaC₂O₄. The effects of concentrations of SDS and HPCHS, [Ca²⁺]/[C₂O₄^2-], [Mg²⁺]/[Ca²⁺] and ratio of <em>V</em>_ethanol/<em>V</em>_water and [Mg²⁺]/[Ca²⁺] on the crystallization are investigated. The CaC₂O₄ particles are characterized by scanning electron microscopy, powder X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy. The results show that SDS inhibits the crystallization and growth of CaC₂O₄ particles due to the interaction between dodecyl sulfate and Ca²⁺ and also the formation of calcium dodecyl sulfate. Based on an analysis of the CaC₂O₄ and solution properties of SDS/Ca²⁺ and HPCHS/SDS/Ca²⁺, a mechanism for CaC₂O₄ crystallization in SDS solutions is proposed. This work is of significance in inhibiting abnormal mineralization. Page(s): 9-17 Mon, 01 Jan 2018 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/43490 2018-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/43489 Title: Enhanced photocatalytic activity of mesoporous nano titania decorated with zinc phthalocyanine Authors: Ramacharyulu, P V R K; Prasad, G K Abstract: Zinc phthalocyanine decorated mesoporous titania (Znpc-TiO₂), has been synthesized by a hydrothermal method, This visible light active nanocatalyst with a specific surface area of 247 m² g^-1 degrades one of the highly toxic chemical warfare agents, sulfur mustard and malchite green dye photocatalytically in the sunlight with an exposure time of as low as 60 min. Page(s): 18-25 Mon, 01 Jan 2018 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/43489 2018-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/43488 Title: <em>In situ</em> synthesis and characterization of Prussian blue nanocubes on graphene oxide and its application for H₂O₂ reduction Authors: Ge, Cheng-xiang; Li, Peng-jun; Lai, Juan-hua; Qiu, Ping Abstract: An effective and facile in situ electroless deposition approach has been developed for growing high-quality Prussian blue nanocubes on the surface of graphene oxide (PBNCs/GO) in a controlled manner. The resulting hybrids are characterized by scanning electron microscopy, transmission electron microscopy, Fourier transform infrared, ultraviolet visible, X-ray diffraction and electrochemical techniques. The electrochemical behavior on the modified electrode is discussed in detail. A linear calibration of the biosensor is obtained in the range of 0.002–2.8 mM with a detection limit of 0.48 µM. The response is within less than 5 s and the detection sensitivity is 2502 µA mM^-1cm^-2. The proposed approach allows simple and controlled preparation of transition metal hexacyanoferrate nanocrystals/graphene oxide and is promising for the study of unique shape-, size-, and structure- dependent properties for optoelectronic, magnetic, and electrocatalytic applications. Page(s): 26-33 Mon, 01 Jan 2018 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/43488 2018-01-01T00:00:00Z http://nopr.niscpr.res.in/handle/123456789/43487 Title: A highly specific heterostructure composed of N-doped TiO₂ anatase nanoparticles and double layer Au for detection of thiophene molecule: A DFT study Authors: Abbasi, Amirali; Sardroodi, Jaber Jahanbin Abstract: The adsorption of thiophene molecule on the pristine, N-doped and Cu/N codoped TiO₂-supported Au overlayers has been studied using density functional theory calculations, taking into consideration the effects of van der Waals interaction. Thiophene molecule can be adsorbed on both the Au and five-fold coordinated titanium sites of TiO₂ supported Au overlayers. Various adsorption configurations of thiophene over the considered TiO₂ supported Au overlayers are discussed. It is found that with Cu/N codoped nanoparticle as an adsorbent, the adsorption configuration is more stable and consequently the adsorption process is more energetically favorable. The adsorption of thiophene molecule on the N-doped TiO₂ supported Au overlayers is more energetically favorable than the adsorption on the undoped ones. On the Cu/N codoped nanoparticle, the adsorption process is more strongly favored. Thus, Cu/N-codoped system can interact with thiophene molecule more efficiently. The considerable overlaps between the PDOSs of the sulfur and titanium atoms indicate chemical bond forms between these two atoms. These chemical bonds confirm chemisorption of thiophene on the TiO₂ supported Au overlayers. After the adsorption process, the HOMOs are mainly distributed over the adsorbed thiophene molecule. The charge analysis based on Mulliken charges reveals that charge is transferred from the thiophene molecule to the TiO₂ supported Au. This study not only suggests a theoretical basis for adsorption behaviors of thiophene on the TiO₂-supported Au overlayers, but also provides an efficient strategy to design and improve highly efficient sensor devices for thiophene detection. Page(s): 34-43 Mon, 01 Jan 2018 00:00:00 GMT http://nopr.niscpr.res.in/handle/123456789/43487 2018-01-01T00:00:00Z