Browsing GPC Research by Title
Now showing items 400-419 of 432
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Tailoring optical absorption in silicon nanostructures from UV to visible light: A TDDFT study
( Elsevier Ltd , 2016 , Article)The utilization of silicon nanostructures, from quantum dots to nanowires, for photovoltaic applications depends on understanding the effect of their physical structure on their optical absorption properties. In this work, ... -
Tailoring Organic Cation of 2D Air-Stable Organometal Halide Perovskites for Highly Efficient Planar Solar Cells
( Wiley-VCH Verlag , 2017 , Article)2D perovskites have recently been shown to exhibit significantly improved environmental stability. Derived from their 3D analogues, 2D perovskites are formed by inserting bulky alkylammonium cations in‐between the anionic ... -
Tailoring the defects of sub-100 nm multipodal titanium nitride/oxynitride nanotubes for efficient water splitting performance
( Royal Society of Chemistry , 2021 , Article)Deciphering the photocatalytic-defect relationship of photoanodes can pave the way towards the rational design for high-performance solar energy conversion. Herein, we rationally designed uniform and aligned ultrathin ... -
TDDFT Studies on sheet size-dependency of optoelectronic properties of 2d silicon
( Institute of Electrical and Electronics Engineers Inc. , 2019 , Conference Paper)Silicene, a two-dimensional (2D) silicon nanosheet, has gained immense interest due to potential applications, better compatibility, and expected integration with current silicon (Si) technology. This work explores the ... -
The cost benefit of algal technology for combined CO2 mitigation and nutrient abatement
( Elsevier Ltd , 2017 , Article Review)The use of microalgae culture technology (MCT) for mitigating CO2 emissions from flue gases and nutrient discharges from wastewater whilst generating a biofuel product is considered with reference to the cost benefit ... -
The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex
( Elsevier B.V. , 2017 , Article)The coupled exciton-vibrational dynamics of a three-site model of the FMO complex is investigated using the Multi-layer Multi-configuration Time-dependent Hartree (ML-MCTDH) approach. Emphasis is put on the effect of the ... -
The effect of sulfur dioxide on the activity of hierarchical Pd-based catalysts in methane combustion
( Elsevier B.V. , 2017 , Article)SO2 poisoning of methane oxidation over alumina-supported, Pd@CexZr1−xO2 nanoparticle catalysts was systematically studied by means of advanced PhotoElectron Spectroscopy (PES) methods. The Pd@CexZr1−xO2 units were synthesized ... -
The effect of vacancy defects on the adsorption of methane on calcite 104 surface
( Elsevier Editora Ltda , 2021 , Article)Density functional theory calculations are used to study the effect of vacancy defects (ionic Ca and charge neutral CO3) on the adsorption properties of CH4 molecule on different calcite surfaces. Both types of vacancy ... -
The impact of mechanical shear on membrane flux and energy demand
( Elsevier B.V. , 2016 , Article Review)The use of forced mechanical shear for both disc membranes (rotating and vibrating disc filtration, RDF and VDF respectively) and hollow fibres (vibrating HF membranes, VHFM) is reviewed. These systems have been extensively ... -
The impact of mechanically-imposed shear on clogging, fouling and energy demand for an immersed membrane bioreactor
( MDPIAG , 2018 , Article)The impact of the application of mechanically-imposed shear on the propensity for fouling and clogging (or “sludging”—the agglomeration of sludge solids in the membrane channel) of an immersed flat sheet (iFS) membrane ... -
The recent advances in the mechanical properties of self-standing two-dimensional MXene-based nanostructures: Deep insights into the supercapacitor
( MDPI AG , 2020 , Article)MXenes have emerged as promising materials for various mechanical applications due to their outstanding physicochemical merits, multilayered structures, excellent strength, flexibility, and electrical conductivity. Despite ... -
The recovery of strontium ions from seawater reverse osmosis brine using novel composite materials of ferrocyanides modified roasted date pits
( Elsevier , 2023 , Article)In this study, three types of adsorbents were used to remove and recover strontium ions (Sr2+) from aqueous and brine solution of seawater reverse osmosis (SWRO), namely roasted date pits (RDP) and RDP modified using copper ... -
The status of forward osmosis technology implementation
( Elsevier B.V. , 2019 , Article Review)The current review appraises the status of forward osmosis (FO) technology implementation and prospective commercial exploitation through examination of its energy consumption and other key process attributes compared with ... -
Theoretical investigation of the oxygen bond dissociation energies in graphene oxide
( Institute of Electrical and Electronics Engineers Inc. , 2016 , Conference Paper)The theoretical vibrational spectrum, oxygen bond dissociation energies (BDE), atomic charges and hydrogen bonding has been investigated using wB97XD/6-31g(d) method of calculation. The order of BDE for C-O comes in the ... -
Theoretical Studies of a Silica Functionalized Acrylamide for Calcium Scale Inhibition
( MDPI , 2022 , Article)The calcium carbonate (CaCO3 ) scale is one of the most common oilfield scales and oil and gas production bane. CaCO3 scale can lead to a sudden halt in production or, worst-case scenario, accidents; therefore, CaCO3 scale ... -
Theoretical studies of methane adsorption on Silica-Kaolinite interface for shale reservoir application
( Elsevier B.V. , 2021 , Article)Shale gas is mostly made up of methane and is currently being exploited in fulfilling the world's energy demands. Density Functional Theory (DFT) and Molecular Dynamics (MD) techniques are employed for understanding methane ... -
Thermal degradation of aqueous amine/amino acid solutions in the presence and absence of CO 2
( Institute of Physics Publishing , 2018 , Conference Paper)The stability to thermal degradation of aqueous solutions of methyldiethanolamine (MDEA) and their mixtures with glycine (Gly), in the absence and the presence of CO 2 , was investigated by Gas chromatography-flame ionization ... -
Thermochemical treatment of fly ash for synthesis of mesoporous activated carbon
( Springer Netherlands , 2015 , Article)A mesoporous activated carbon is produced from oil fly ash (OFA) using chemical and thermal treatments at different activation conditions. The ash samples were refluxed with a range of compositions of sulfuric, nitric, and ... -
Thermochemical Upgrading of Calcium Bentonite for Drilling Fluid Applications
( American Society of Mechanical Engineers (ASME) , 2019 , Article)The rheological properties of bentonite suspensions depend on the chemical composition and the contained dominant element, such as calcium (Ca), potassium (K), and sodium (Na). Na-bentonite type is the one used in drilling ... -
Thermodynamic characterization of deepwater natural gas mixtures with heavy hydrocarbon content at high pressures
( Elsevier , 2015 , Article)This paper includes high-accuracy density measurements and phase envelopes for deepwater natural gas mixtures. Mixtures primarily consist of (0.88 and 0.94) mole fraction methane and both mixtures includes heavy components ...
