Search Results - "Alatawi, Naifa S."
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Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study
Published in RSC advances (06-01-2023)“…To boost the photovoltaic attributes of organic photovoltaic cells, seven dithienyl diketopyrropopyrrole (TDPP) donor-based A-π-D-π-A…”
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Dual Studies of Photo Degradation and Adsorptions of Congo Red in Wastewater on Graphene-Copper Oxide Heterostructures
Published in Materials (14-05-2023)“…This work comprehensively studies both the photocatalytic degradation and the adsorption process of Congo red dye on the surface of a mixed-phase copper…”
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Theoretical framework for achieving high V oc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics
Published in RSC advances (01-03-2023)“…Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient and…”
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Sn-based materials in photocatalysis: A review
Published in Advances in colloid and interface science (01-11-2023)“…Development and the application of Sn-based materials have become more prevalent in recent years due to concerns regarding the energy crisis, environmental…”
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A DFT study for improving the photovoltaic performance of organic solar cells by designing symmetric non-fullerene acceptors by quantum chemical modification on pre-existed LC81 molecule
Published in Journal of molecular graphics & modelling (01-12-2023)“…Minimizing the energy loss and improving the open circuit voltage of organic solar cells is still a primary concern for scientists working in this field. With…”
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Theoretical insights into recombination mechanisms and design optimization of BaZrS3 chalcogenide perovskite solar cells
Published in Applied physics. A, Materials science & processing (01-10-2024)“…In this study, we investigate an optimized design of ZnO/BaZrS 3 /BaZr 1−0.95 Ti 0.05 S 3 chalcogenide perovskites solar cells using a theoretical model that…”
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Theoretical framework for achieving high Voc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics
Published in RSC advances (08-03-2023)“…Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient and…”
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Tuning the optoelectronic properties of selenophene-diketopyrrolopyrrole-based non-fullerene acceptor to obtain efficient organic solar cells through end-capped modification
Published in Journal of molecular graphics & modelling (01-06-2024)“…With the goal of developing a high-performance organic solar cell, nine molecules of A2-D-A1-D-A2 type are originated in the current investigation. The…”
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Preparation and characterization of polymer nanocomposites based on PVDF/PVC doped with graphene nanoparticles
Published in Results in physics (2017)“…•Nanocomposites consisting of PVDF/PVC GON were prepared and studied.•IR analysis revealed the addition of GO prompts a crystal transformation of α-phase of…”
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Impact of end-group modifications and planarity on BDP-based non-fullerene acceptors for high-performance organic solar cells by using DFT approach
Published in Journal of molecular modeling (01-12-2022)“…With the aim to enhance the photovoltaic properties of organic solar cells (OSCs), seven new non-fullerene acceptors ( K1 – K7 ) have been designed by…”
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Amplifying the photovoltaic properties of phenylene dithiophene core based non-fused ring by engineering the terminal acceptors modification to enhance the efficiency of organic solar cells
Published in Journal of molecular graphics & modelling (01-11-2023)“…In this study, a series of eight non-fused rings-based semiconducting acceptors (AR1-AR8) were computationally developed by making modifications to the parent…”
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A DFT approach toward designing selenophene‐based unfused small molecule acceptors by end‐capped modification for improving the photovoltaic performance of organic solar cells
Published in Journal of physical organic chemistry (01-03-2024)“…Abstract In this study, we have developed a series of eight non‐fullerene acceptors, constituting A‐D‐A type small molecules named (SS1–SS8) to enlighten the…”
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Exploration of charge transfer analysis and photovoltaics properties of A-D-A type non-fullerene phenazine based molecules to enhance the organic solar cell properties
Published in Journal of molecular graphics & modelling (01-12-2023)“…To intensify the photovoltaic properties of organic solar cells, density functional theory (DFT) based computational techniques were implemented on six…”
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Quantum Chemical Approach of Hexaammine (NH3)6 complexant with alkali and alkaline earth metals for their potential use as NLO materials
Published in Journal of molecular graphics & modelling (01-09-2023)“…In this study, nine new electron rich compounds are presented, and their electronic, geometrical, and nonlinear optical (NLO) characteristics have been…”
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Structural modification of A-C-A configured X–PCIC acceptor molecule for efficient photovoltaic properties with low energy loss in organic solar cells
Published in Journal of molecular graphics & modelling (01-06-2024)“…Modification of terminal acceptors of non-fullerene organic solar cell molecule with different terminal acceptors can help in screening of molecules to develop…”
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Alteration of the central core of a DF-PCIC chromophore to boost the photovoltaic applications of non-fullerene acceptor based organic solar cells
Published in RSC advances (21-02-2023)“…Modifying the central core is a very efficient strategy to boost the performance of non-fullerene acceptors. Herein five non-fullerene acceptors ( M1-M5 ) of…”
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Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential
Published in RSC advances (31-01-2023)“…In the current DFT study, seven dimethoxyl-indaceno dithiophene based semiconducting acceptor molecules ( ID1-ID7 ) are designed computationally by modifying…”
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Preparation and characterizations of Erbium(III)-Tris(8-hydroxyquinolinato) nanostructured films for possible use in gas sensor
Published in Sensors and actuators. A. Physical. (16-06-2022)“…In this paper, Erbium(III)-Tris(8-hydroxyquinolinato) (Erq3), with the empirical formula: C27H18ErN3O3, has been introduced as a photoelectronic performance…”
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Tailoring the structural, electrical, and optical features of Erbium(III)-Tris(8-hydroxyquinolinato) nanostructured films for optical applications: effect of film thickness
Published in Journal of materials science. Materials in electronics (01-05-2022)“…This paper elaborates on the thickness-dependent structural, optical, and electrical properties of Erbium(III)-Tris-8-hydroxyquinolinato (ErQ3) films. The…”
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