Search Results - "Yousaf, Masood"
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Layer-sliding-mediated reversible tuning of interfacial electronic and optical properties of intercalated ZrO2/MoS2 van der Waals heterostructure
Published in Journal of materials research (14-12-2023)“…Effective techniques capable of tuning the properties of van der Waals (vdW) layered materials in a controllable as well as reversible manner are elusive. To…”
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Role of Graphene in Water-Assisted Oxidation of Copper in Relation to Dry Transfer of Graphene
Published in Chemistry of materials (23-05-2017)“…The process of oxidation of a copper surface coated by a layer of graphene in water-saturated air at 50 °C was studied where it was observed that oxidation…”
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A DFT approach to correlate the physical characteristics of novel chalcopyrites ASbN2(A = Li, Na) for green technology
Published in RSC advances (13-02-2024)“…Semiconductor chalcopyrite compounds have been a subject of research interest due to their diverse range of physical properties that have captured the…”
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Theoretical investigations of structural, electronic, magnetic, and optical properties of group V (X = V, Nb, Ta) added CeO2-X materials for optoelectronic applications
Published in Journal of molecular modeling (01-05-2024)“…Context Depletion of natural resources, responsible for energy production, is a serious concern for researchers to develop alternate energy resources or…”
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5
Parsimonious Topology Based on Frank-Kasper Polyhedra in Metal–Organic Frameworks
Published in JACS Au (22-07-2024)“…A new topology previously unknown in metal–organic frameworks (MOFs) provides an important clue to uncovering a new series of polyhedral MOFs. We report a…”
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Multi-Criteria Decision Analysis of Project Management Competencies - A Case Study of Pakistani Non-Governmental Organizations (NGOs)
Published in IEEE access (01-01-2024)“…A structured and specified project management competency framework plays a significant role in accomplishing the goal of non-governmental organization in line…”
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Physical properties and defect processes of Zr3AC2 (A=Al and Si) MAX phases: Implication for radiation tolerance
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-10-2024)“…•Physical properties and defect processes of Zr3AC2 (A=Al and Si) MAX phases are investigated.•Zr3AC2 MAX phases are found to be thermodynamically stable and…”
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Layer-sliding-mediated controllable synthetic strategy for the preparation of multifunctional materials
Published in Materials today communications (01-12-2023)“…Strategies capable of inducing multifunctionality in materials in a controllable manner are highly desirable. In this work, we have brought multifunctionality…”
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Exploring promising KAH3 (A = Ca, Sr and Ba) hydrides for solid-state hydrogen storage and thermoelectric applications
Published in International journal of hydrogen energy (11-09-2024)“…The implementation of hydrogen energy as a renewable and ecologically friendly energy carrier has generated significant interest, however, efficient storage…”
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Controlled dynamic variation of interfacial electronic and optical properties of lithium intercalated ZrO2/MoS2 vdW heterostructure
Published in Journal of molecular graphics & modelling (01-03-2024)“…Efficient strategies for modifying the characteristics of van der Waals (vdW) layered materials in a precise and reversible mode remain challenging. Our…”
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DFT investigations of structural, electronic, magnetic, and optical properties of CeO2-X (X=Mo/Cr) and Mo-Cr co-doped CeO2 for optoelectronic applications
Published in Solid state communications (01-07-2024)“…Current research elucidate investigations on calculating the structural, electronic, magnetic, and optical properties of Mo/Cr doped CeO2 and Mo-Cr co-doped…”
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12
Achieving controllable multifunctionality through layer sliding
Published in Journal of molecular graphics & modelling (01-01-2024)“…Dynamical variation of physical properties in a controllable fashion provides exciting possibilities to obtain multifunctional materials. In this work,…”
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The physical characteristics of Zintl TeRhCl for renewable applications: A DFT approach
Published in Physica. B, Condensed matter (01-10-2024)“…Due to their adaptable electronic and structural attributes, Zintl phases play a crucial role in customizing materials for a wide range of applications. We…”
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Ground state electronic structure, optical and thermoelectric response of Zintl phase MgAl2X2 (X= C, Sb) for renewable energy applications
Published in Physica. B, Condensed matter (15-04-2022)“…Zintl compounds have gained exceptional interest in optoelectronic and thermoelectric applications. The present work includes the detailed study of electronic,…”
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An insight into the electronic, optical and transport properties of promising Zintl-phase BaMg2P2
Published in Physica. B, Condensed matter (01-10-2021)“…Electronic structure, optical and transport properties of Zintl phase BaMg2P2 compound are investigated theoretically using density functional theory as…”
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Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X=Cl, I) for energy storage devices: DFT+SOC investigations
Published in Materials science in semiconductor processing (01-12-2022)“…Double perovskites Rb2TlInX6 (X = Cl, I) have been simulated with the help of density functional theory to determine their structural, elastic, electronic,…”
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CO adsorption on two-dimensional 2H-ZrO2 and its effect on the interfacial electronic properties: implications for sensing
Published in Physica scripta (01-11-2023)Get full text
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CO adsorption on two-dimensional 2H-ZrO 2 and its effect on the interfacial electronic properties: implications for sensing
Published in Physica scripta (01-11-2023)“…Abstract Environmental pollution is commonly caused by direct and indirect greenhouse gasses and various traces of toxic gasses. CO is a tasteless, colourless…”
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The structural, elastic, electromagnetic and optical response of quaternary Heusler CoFeTiZ (Z = Ge, Sb) alloys: a DFT study with mBJ and mBJ + SOC methods
Published in European physical journal plus (15-11-2022)“…The spin–orbit coupling effect and the modified Becke-Johnson potential have been employed to calculate the ground-state response of quaternary Heusler CoFeTiZ…”
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Co2YZ (Y= Cr, Nb, Ta, V and Z= Al, Ga) Heusler alloys under the effect of pressure and strain
Published in Journal of molecular graphics & modelling (01-05-2021)“…Full Heuslers alloys are a fascinating class of materials leading to many technological applications. These have been studied widely under ambient conditions…”
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