Search Results - "Chemical physics letters"

The photocatalytic performance of the ZnO/g-C3N4 composite photocatalyst toward degradation of organic pollutants and its inactivity toward hydrogen evolution: The influence of light irradiation and charge transfer by Ismael, Mohammed

“…[Display omitted] ZnO/g-C3N4 composite shows no activity toward hydrogen evolution which is dependent on the type of irradiation and the charge transfer…”
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Preparation, characterization, and investigation of the catalytic property of α-Fe2O3-ZnO nanoparticles in the photodegradation and mineralization of methylene blue by Noruozi, Abbas, Nezamzadeh-Ejhieh, Alireza

“…[Display omitted] •Boosted photocatalytic activity of α-Fe2O3-ZnO with respect to single components.•Different crystallite sizes obtained by W-H and Scherer…”
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Theoretical investigation of supramolecular hydrogen-bonded choline chloride-based deep eutectic solvents using density functional theory by Naseem, Zubera, Shehzad, Rao Aqil, Ihsan, Anaum, Iqbal, Javed, Zahid, Muhammad, Pervaiz, Amjad, Sarwari, Ghulam

“…The most stable supramolecular structural configuration of DES3 with extensive hydrogen bonding network was simulated by B3LYP/6-31G/d,p. The DES3 was most…”
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A brief study on the kinetic aspect of the photodegradation and mineralization of BiOI-Ag3PO4 towards sodium diclofenac by Mehrali-Afjani, Meymanat, Nezamzadeh-Ejhieh, Alireza, Aghaei, Hamidreza

“…[Display omitted] •Boosted photocatalytic activity of Ag3PO4-BiOI with respect to single components.•Enhanced optical properties of Ag3PO4 by coupling with…”
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DFT and TDDFT studies of the new inorganic perovskite CsPbI3 for solar cell applications by Idrissi, S., Labrim, H., Bahmad, L., Benyoussef, A.

“…[Display omitted] In this paper, the density functional theory (DFT) and time-dependent density-functional theory (TDDFT) have been used to study the…”
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First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications by Khan, Muhammad Usman, Ibrahim, Muhammad, Khalid, Muhammad, Qureshi, Munawar Saeed, Gulzar, Tahsin, Zia, Khalid Mahmood, Al-Saadi, Abdulaziz A., Janjua, Muhammad Ramzan Saeed Ashraf

“…[Display omitted] •The quinacridone-based compounds have excellent NLO properties.•DFT and TDDFT computations were executed to explore the molecules.•All…”
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Exploring the limits: A low-pressure, low-temperature Haber–Bosch process by Vojvodic, Aleksandra, Medford, Andrew James, Studt, Felix, Abild-Pedersen, Frank, Khan, Tuhin Suvra, Bligaard, T., Nørskov, J.K.

“…[Display omitted] The Haber–Bosch process for ammonia synthesis has been suggested to be the most important invention of the 20th century, and called the…”
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Comparative study of conduction-band and valence-band edges of TiO2, SrTiO3, and BaTiO3 by ionization potential measurements by Fujisawa, Jun-ichi, Eda, Takumi, Hanaya, Minoru

“…[Display omitted] •Conduction-band and valence-band edges of anatase TiO2, SrTiO3, and BaTiO3.•Higher-energy conduction bands of SrTiO3 and BaTiO3 than anatase…”
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Synthesis and performance of two ecofriendly epoxy resins as a highly efficient corrosion inhibition for carbon steel in 1 M HCl solution: DFT, RDF, FFV and MD approaches by Hsissou, Rachid, Benhiba, Fouad, El Aboubi, Meriam, Abbout, Said, Benzekri, Zakaria, Safi, Zaki, Rafik, Mourad, Bahaj, Hanane, Kaba, Meriyam, Galai, Mouhsine, Wazzan, Nuha, Briche, Samir, Boukhris, Said, Zarrouk, Abdelkader, EbnTouhami, Mohamed, Rafik, Mohamed

“…[Display omitted] •GlP and GaP ecofriendly epoxy resins were synthesized and identified by FTIR analysis.•GlP and GaP used present higher protective…”
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Green synthesis of silver nanoparticles using fruits extracts of Syzygium cumini and their bioactivity by Chakravarty, Archana, Ahmad, Iftkhar, Singh, Preeti, Ud Din Sheikh, Mehraj, Aalam, Gulshitab, Sagadevan, Suresh, Ikram, Saiqa

“…[Display omitted] •Ag NPs were prepared using Syzygium cumini fruit extract by green method.•The developed Ag NPs having a size of ∼47 nm and nearly…”
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Quantum chemical designing of indolo[3,2,1-jk]carbazole-based dyes for highly efficient nonlinear optical properties by Khan, Muhammad Usman, Ibrahim, Muhammad, Khalid, Muhammad, Jamil, Saba, Al-Saadi, Abdulaziz A., Janjua, Muhammad Ramzan Saeed Ashraf

“…[Display omitted] •Eight indolo[3,2,1-jk]carbazole based donor-π-acceptor organic dyes were designed.•The DFT calculations have been performed to evaluate the…”
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Entropy analysis of thermally radiating MHD slip flow of hybrid nanoparticles (Au-Al2O3/Blood) through a tapered multi-stenosed artery by Sharma, B.K., Gandhi, Rishu, Bhatti, M.M.

“…[Display omitted] •Entropy generation analysis on a tapered multi-stenosed artery is studied.•Effects of viscous dissipation, radiation, and magnetic field are…”
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Combined effect of induced magnetic field and thermal radiation on ternary hybrid nanofluid flow through an inclined catheterized artery with multiple stenosis by Dolui, Soumini, Bhaumik, Bivas, De, Soumen

“…The present article introduces a theoretical study of ternary hybrid nanoparticle (Cu–Ag–Au) on a two-dimensional blood flow through an inclined catheterized…”
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A comprehensive DFT analysis on structural, electronic, optical, thermoelectric, SLME properties of new Double Perovskite Oxide Pb2ScBiO6 by Annie Abraham, Jisha, Behera, Debidatta, Kumari, Kiran, Srivastava, Anshuman, Sharma, Ramesh, Kumar Mukherjee, Sanat

“…[Display omitted] •A theoretical study of Pb-based double perovskites for optoelectronic and thermoelectric applications.•Electronic properties including band…”
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Preparation and optical investigation of green luminescent ternary terbium complexes with aromatic β-diketone by Hooda, Anjli, Dalal, Anuj, Nehra, Kapeesha, Singh, Devender, Kumar, Sumit, Malik, Rajender Singh, Kumar, Parvin

“…[Display omitted] •Ternary terbium complexes with 1-phenyl-1,3-butanedione and heteroaromatic bidentate neutral ligands were synthesized and spectroscopically…”
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A fractional model for the kerosene oil and water-based Casson nanofluid with inclined magnetic force by Raza, Ali, Ullah Khan, Sami, Al-Khaled, Kamel, Ijaz Khan, M., Ul Haq, Absar, Alotaibi, Fakhirah, Mousa, Abd Allah A., Qayyum, Sumaira

“…[Display omitted] •Comparative thermal aspect of nanofluid with kerosene oil and water base fluid subject to the inclined magnetic force is addressed.•The…”
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Synthesis techniques and applications of rare earth metal oxides semiconductors: A review by Patil, Amol S., Patil, Arun V., Dighavkar, Chandrakant G., Adole, Vishnu A., Tupe, Umesh J.

“…[Display omitted] •Background of compounds containing rare earth elements is addressed.•Various methods for synthesizing rare earth metal oxides have been…”
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Gas adsorption on MoS2 monolayer from first-principles calculations by Zhao, Shijun, Xue, Jianming, Kang, Wei

“…[Display omitted] •Gas adsorption on MoS2 are investigated from first-principles calculations.•van der Waals interactions are considered in calculations.•NO…”
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Performance of curing epoxy resin as potential anticorrosive coating for carbon steel in 3.5% NaCl medium: Combining experimental and computational approaches by Hsissou, Rachid, Benhiba, Fouad, Echihi, Siham, Benzidia, Bouchra, Cherrouf, Sghir, Haldhar, Rajesh, Ahmad Alvi, Parvez, Kaya, Savaş, Serdaroğlu, Goncagül, Zarrouk, Abdelkader

“…[Display omitted] •TGETET/DAH and TGETET/DDM curing epoxy resins were investigated as potential anticorrosive coatings.•TGETET/DAH and TGETET/DDM tested…”
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Hazardous gases sensors based on conducting polymer composites: Review by Farea, Maamon A., Mohammed, Hamed Y., Shirsat, Sumedh M., Sayyad, Pasha W., Ingle, Nikesh N., Al-Gahouari, Theeazen, Mahadik, Manasi M., Bodkhe, Gajanan A., Shirsat, Mahendra D.

“…[Display omitted] •An overview of the most toxic gases in the environment.•Gas sensing mechanism of the composites are investigated.•The parameters of the…”
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