Muhammad Ramzan Saeed Ashraf Janjua
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View article: A review on green synthesis of silver nanoparticles (SNPs) using plant extracts: a multifaceted approach in photocatalysis, environmental remediation, and biomedicine
A review on green synthesis of silver nanoparticles (SNPs) using plant extracts: a multifaceted approach in photocatalysis, environmental remediation, and biomedicine Open
A sustainable and viable alternative for conventional chemical and physical approaches is the green production of silver nanoparticles (SNPs) using plant extracts.
View article: Metal oxide-polymer hybrid composites: a comprehensive review on synthesis and multifunctional applications
Metal oxide-polymer hybrid composites: a comprehensive review on synthesis and multifunctional applications Open
Metal oxide-conducting polymer hybrids show great promise as efficient catalysts for water splitting, advancing sustainable energy. This review covers recent progress, challenges, and future prospects of these multifunctional materials.
View article: Chia seed-mediated fabrication of ZnO/Ag/Ag2O nanocomposites: structural, antioxidant, anticancer, and wound healing studies
Chia seed-mediated fabrication of ZnO/Ag/Ag2O nanocomposites: structural, antioxidant, anticancer, and wound healing studies Open
Plant extract-mediated fabrication of metal nanocomposites is used in cell proliferation inhibition and topical wound treatment, demonstrating significant effectiveness. Salvia hispanica L. (chia) seed extract (CE) is used as the reaction …
View article: Evaluation of Anti-Infection and Anti-Diabetic Activities in Methanolic and n-Hexane Plant Extracts of Indigenously Cultivated Chenopodium album
Evaluation of Anti-Infection and Anti-Diabetic Activities in Methanolic and n-Hexane Plant Extracts of Indigenously Cultivated Chenopodium album Open
The Asian region of earth has a rich agriculture system that provides extensive opportunities to boost pharmaceutical and nutritional research to address the use of food crops for health benefits and potential clinical applications. The tr…
View article: A review on synthesis of MOF-derived carbon composites: innovations in electrochemical, environmental and electrocatalytic technologies
A review on synthesis of MOF-derived carbon composites: innovations in electrochemical, environmental and electrocatalytic technologies Open
Carbon composites derived from Metal–Organic Frameworks (MOFs) have shown great promise as multipurpose materials for a range of electrochemical and environmental applications.
View article: Adsorption of molecular hydrogen on Be<sub>3</sub>Al<sub>2</sub>(SiO<sub>3</sub>)<sub>6</sub>-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications
Adsorption of molecular hydrogen on Be<sub>3</sub>Al<sub>2</sub>(SiO<sub>3</sub>)<sub>6</sub>-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications Open
In this study, we explored the adsorption potential of molecular hydrogen (H 2 ) on Be 3 Al 2 (SiO 3 ) 6 -beryl by examining its interaction with different random conformations.
View article: Exploring HCl–HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications
Exploring HCl–HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications Open
More than 1800 conformations of HCl–HCl were generated through QZVPP calculations to obtain interaction energies for thermodynamics and industrial applications.
View article: Adsorption of molecular hydrogen (H <sub>2</sub> ) on a fullerene (C <sub>60</sub> ) surface: insights from density functional theory and molecular dynamics simulation
Adsorption of molecular hydrogen (H <sub>2</sub> ) on a fullerene (C <sub>60</sub> ) surface: insights from density functional theory and molecular dynamics simulation Open
This study investigates fullerene's (C 60 ) adsorption capabilities for molecular hydrogen (H 2 ) by analyzing its interactions with various random conformations.
View article: Photocatalytic degradation of indigo carmine dye by hydrothermally synthesized graphene nanodots (GNDs): investigation of kinetics and thermodynamics
Photocatalytic degradation of indigo carmine dye by hydrothermally synthesized graphene nanodots (GNDs): investigation of kinetics and thermodynamics Open
All the data have been shared in the manuscript. However, the data are also available on request via email from the corresponding author.
View article: Synthesis, characterization, and applications of cobalt bismuth layered double hydroxide nanoparticles: Physical insights towards a potential material as fuel additive and photocatalyst
Synthesis, characterization, and applications of cobalt bismuth layered double hydroxide nanoparticles: Physical insights towards a potential material as fuel additive and photocatalyst Open
In present research, novel cobalt bismuth layered double hydroxides (Co/Bi‐LDHs) were fabricated by urea hydrolysis approach at laboratory scale in mixed solvent of water and ethylene glycol. Synthesized product was analyzed by different t…
View article: Recent advances in synthesis and characterization of iron–nickel bimetallic nanoparticles and their applications as photo-catalyst and fuel additive
Recent advances in synthesis and characterization of iron–nickel bimetallic nanoparticles and their applications as photo-catalyst and fuel additive Open
Cubic structure of Fe/Ni bimetallic nanoparticles for their applications as catalyst and fuel additive.
View article: Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods
Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods Open
We employed various force field methods to identify the interaction potential that provides the best match for this particular kind of adsorption .
View article: Morphologically controlled synthesis, characterization, and applications of molybdenum oxide (MoO<sub>3</sub>) nanoparticles
Morphologically controlled synthesis, characterization, and applications of molybdenum oxide (MoO<sub>3</sub>) nanoparticles Open
Molybdenum nanoparticles are used as additives in alloys for various applications, such as or in corrosive or high‐vacuum environment. Their properties are completely different than the properties in their bulk. Molybdenum nanoparticles we…
View article: Comparative investigation of catalytic application of α/β/γ-MnO2 nanoparticles synthesized by green and chemical approaches
Comparative investigation of catalytic application of α/β/γ-MnO2 nanoparticles synthesized by green and chemical approaches Open
It is first time reported that three phases (α, β, and γ) of manganese dioxide (MnO2) are successfully stabilized in a single entity. For this purpose, Citrullus colocynthis (bitter apple) extract is used as natural surfactant in green syn…
View article: Theoretical modeling of Ring-Locked S-shaped acceptor molecules for High-Performance Organic Solar Cells
Theoretical modeling of Ring-Locked S-shaped acceptor molecules for High-Performance Organic Solar Cells Open
The introduction of a bridge element to covalently ring-lock the neighboring aryl or heteroaryl groups connected by a single bond has led to a variety of fascinating multifused ladder-type structures. Here, we have designed a new series of…
View article: In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells
In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells Open
This work was inspired by a previous report [Janjua, M. R. S. A. Inorg. Chem. 2012, 51, 11306-11314] in which the optoelectronic properties were improved with an acceptor bearing heteroaromatic rings. Herein, we have designed four novel Y-…
View article: Investigation of catalytic and fuel additive applications of copper/copper(I) oxide/copper(II) oxide (Cu/CuO/Cu<sub>2</sub>O) microspheres synthesized by hydrothermal method using sucrose as template
Investigation of catalytic and fuel additive applications of copper/copper(I) oxide/copper(II) oxide (Cu/CuO/Cu<sub>2</sub>O) microspheres synthesized by hydrothermal method using sucrose as template Open
Role of sucrose in sequential reduction of copper (II) ions is investigated. Copper/copper(I) oxide/copper(II) oxide (Cu/CuO/Cu 2 O) microspheres are synthesized via hydrothermal method using sucrose as template. Size of microparticles lie…
View article: Synthesis of Co3O4 Nano Aggregates by Co-precipitation Method and its Catalytic and Fuel Additive Applications
Synthesis of Co3O4 Nano Aggregates by Co-precipitation Method and its Catalytic and Fuel Additive Applications Open
The nano aggregates of cobalt oxide (Co 3 O 4 ) are synthesized successfully by adopting simple a co precipitation approach. The product obtained was further subjected to the calcination process that not only changed it morphology but also…
View article: Density Functional Theory Predictions of the Nonlinear Optical (NLO) Properties in Triphenylamine based α-Cyanocinnamic Acid Compounds: Effect of Fluorine on NLO Response
Density Functional Theory Predictions of the Nonlinear Optical (NLO) Properties in Triphenylamine based α-Cyanocinnamic Acid Compounds: Effect of Fluorine on NLO Response Open
In this study, the energy gaps, second-order nonlinear optical (NLO) properties and dipole polarizabilities of triphenylamine based α-cyanocinnamic acid acetylene derivatives have been investigated via using time-dependent density function…
View article: Structural Properties and Nonlinear Optical Responses of Halogenated Compounds: A DFT Investigation on Molecular Modelling
Structural Properties and Nonlinear Optical Responses of Halogenated Compounds: A DFT Investigation on Molecular Modelling Open
Computational chemistry is used to evaluate structures of different compounds by using principles of theoretical and quantum chemistry integrated into useful computer programs. It is used to determine energies, dipole moments and thermodyn…
View article: Photocatalytic degradation of reactive black 5 on the surface of tin oxide microrods
Photocatalytic degradation of reactive black 5 on the surface of tin oxide microrods Open
A simple co-precipitation technique is proposed for synthesis of tin oxide (SnO2) microrods. Stannous chloride and urea were used during synthesis. X-ray powder diffraction (XRD) analysis revealed that the annealed product consists of SnO2…
View article: QUANTUM CHEMICAL DESIGNING OF TRIPHENYLAMINE DYES WITH D-A-&#928;-&#913; CONFIGURATION FOR DYE SENSITIZED SOLAR CELLS: MOLECULAR ENGINEERING THROUGH FIRST-PRINCIPLES CALCULATIONS
QUANTUM CHEMICAL DESIGNING OF TRIPHENYLAMINE DYES WITH D-A-Π-Α CONFIGURATION FOR DYE SENSITIZED SOLAR CELLS: MOLECULAR ENGINEERING THROUGH FIRST-PRINCIPLES CALCULATIONS Open
In this research article, we have designed triphenylamine (TPA) dyes with D-A-Ï-A structure and their electro-optical and charge injection properties have been calculated. The computational techniques are used to study the effect of addit…
View article: First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers
First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers Open
This work was inspired by a previous report [Janjua, M.R.S.A. Inorg. Chem. 2012, 51, 11306−11314] in which the nonlinear optical (NLO) response strikingly improved with double heteroaromatic rings. Herein, series of triphenylamine–dicyanov…
View article: The first morphologically controlled synthesis of a nanocomposite of graphene oxide with cobalt tin oxide nanoparticles
The first morphologically controlled synthesis of a nanocomposite of graphene oxide with cobalt tin oxide nanoparticles Open
Tin cobalt hydroxide nanoparticles were synthesized by a simple hydrothermal technique. A graphene based cobalt tin oxide nanocomposite was synthesized by a solvothermal method.
View article: Non-linear Optical Response of Phenoxazine-based Dyes: Molecular Engineering of Thiadiazole Derivatives as π-spacers
Non-linear Optical Response of Phenoxazine-based Dyes: Molecular Engineering of Thiadiazole Derivatives as π-spacers Open
In this article, various dyes have been quantum chemically designed which are based on A-π-D-π-A structural configuration. The main objective of this work is to study the effect of electron deficient thiadiazole derivatives as the π-spacer…
View article: Computational Study on Non-linear Optical and Absorption Properties of Benzothiazole based Dyes: Tunable Electron-Withdrawing Strength and Reverse Polarity
Computational Study on Non-linear Optical and Absorption Properties of Benzothiazole based Dyes: Tunable Electron-Withdrawing Strength and Reverse Polarity Open
Various organic dyes possessing characteristic D-π-A-A configuration have been designed in this article. The analysis of the relation between polarity of charge transfer and the unsymmetrical nature of the benzothiazole group has been stud…
View article: Morphologically controlled synthesis of ferric oxide nano/micro particles and their catalytic application in dry and wet media: a new approach
Morphologically controlled synthesis of ferric oxide nano/micro particles and their catalytic application in dry and wet media: a new approach Open
Morphologically controlled synthesis of ferric oxide nano/micro particles has been carried out by using solvothermal route. Structural characterization displays that the predominant morphologies are porous hollow spheres, microspheres, mic…