Abdelkareem M Almeshal

Abdelkareem M Almeshal

Qassim University

H-index: 3

Asia-Saudi Arabia

About Abdelkareem M Almeshal

Abdelkareem M Almeshal, With an exceptional h-index of 3 and a recent h-index of 3 (since 2020), a distinguished researcher at Qassim University, specializes in the field of Theory of Molecular-Scale Transport.

Abdelkareem M Almeshal Information

University

Qassim University

Position

Assistant Professor of Physics

Citations(all)

65

Citations(since 2020)

64

Cited By

6

hIndex(all)

3

hIndex(since 2020)

3

i10Index(all)

1

i10Index(since 2020)

1

Email

University Profile Page

Qassim University

Abdelkareem M Almeshal Skills & Research Interests

Theory of Molecular-Scale Transport

Top articles of Abdelkareem M Almeshal

First Principle Investigation of Half Metallic Ferromagnetism and Thermoelectric Behavior of MgSm2 (S/Se) 4 Spinels for Spintronic and Energy Harvesting Applications

Density functional theory investigates the spin-dependent structural, electronic, magnetic, and thermoelectric properties of MgSm2 × 4 (X = S, Se). The optimization uses PBEsol-GGA to compute the lattice constant, bulk modulus, and energies. The Heisenberg model has been applied to calculate the Curie temperature which shows ferromagnetism above room temperature. The negative values of formation energy confirm their thermodynamic stability. The half-metallic ferromagnetism (HMF) is observed from the metallic character in the spin-up channel and insulating behaviour in the spin-down channel. The density of states plots indicates that 4f-states of Sm, 3s states of Mg and 3p/4p states of S/Se play a crucial role in forming band edges. The computation of exchange energies and exchange magnetic constants has assisted in determining these spinels' ferromagnetic and 100% spin polarized nature. The …

Authors

Ghulam M Mustafa,Hanof Dawas Alkhaldi,Sadaf Saba,Abdelkareem Almeshal,Ayman S Alofi,Murefah mana AL-Anazy,AI Aljameel,Abdulaziz A Alshihri,Q Mahmood

Journal

Chinese Journal of Physics

Published Date

2024/4/26

Orthorhombic structure and optoelectronic properties of 3d transition metal diantimonides TMSb2 (TM2+= V, Cr, Fe)

Inorganic transition-metal materials have attracted widespread attention in the field of opto-spintronics technology due to their unique optical and electronic structures. Tuning the physical properties of diantimonide materials by introducing 3d transition-metal (TM) elements is an effective means to obtain functional compounds to be applicable in the field of optoelectronics devices. In this regard, based on ab-initio calculations, we have investigated the structural, electronic and optical properties of diantimonides TMSb2 (TM = V, Cr, Fe) according to the density functional theory (DFT) executed in Wien2k package. The Perdew-Burke-Ernzerhof (PBE) functional under generalized gradient approximation (GGA) and (GGA + U) are adopted to carry out the exchange correlation calculations. Our DFT results demonstrate that TMSb2 crystalize in marcasite structure with orthorhombic symmetry (S.G.: Pnnm, #58, Z = 2 …

Authors

A Almeshal,BO Alsobhi

Journal

Physics Open

Published Date

2024/4/3

Tuning of band gap and enhancing electronic properties of CsSnBr3 under high pressure for optoelectronic applications

Recently, inorganometallic halide perovskite semiconductors have emerged as promising candidate for novel industrial demands like optoelectronic devices and photovoltaic (PV) solar cells. Herein, the essential properties of CsSnBr 3 have been calculated through the first principles DFT. CsSnBr 3 shows stable cubic structure (Pm-3m) at all pressures accompany by ductile nature and strong resistance to shear deformation. Pressure clearly affects the MM direct band-gap, E g= 0.979 eV (P= 0 GPa), 0.334 eV (P= 10 GPa), 0.271 eV (P= 20 GPa), 0.078 eV (P= 30 GPa), and 0.0 eV (P= 40 GPa). We found that the nonmagnetic semiconductor CsSnBr 3 shows high absorption in the visible spectrum at all pressures. The responses disclose that optical parameters increase and drag towards high energies with an increase of pressure. The narrow band-gap and high absorption have made CsSnBr 3 suitable material for …

Authors

BO Alsobhi,A Almeshal

Journal

Computational Condensed Matter

Published Date

2024/3/1

DFT modeling techniques to understand the potential applicability of novel double perovskite semiconductor Ba2LuNbO6 for sustainable thermoelectrics and optoelectronic perspectives

Searching for novel functional materials represents an important direction in the research and development of renewable energy. Herein, experimentally synthesised Ba2LuNbO6 (BLNO) host double perovskite has been theoretically computed by first principles techniques to understand its several physical properties like electronic-structure, mechanical behaviour, transport along with optical and thermal properties upon the basis of full potential linearized augmented plane wave (FP-LAPW) followed by density functional theory (DFT). First and foremost, the attempt was significant made to relax the molecular crystal structure of BLNO at an experimental lattice constant to evaluate its total ground state and cohesive energy (Ecoh) for descripting its required structural stability. After that, we have overseen its mechanical stability from the computation of second order elastic constants (SOEC's). Later on, the electronic …

Authors

Saveer Ahmad Khandy,Abdelkareem Almeshal,Thamraa Alshahrani,Dinesh C Gupta

Journal

Journal of Solid State Chemistry

Published Date

2023/11/1

Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X= Cl, Br, I) for solar cells and transport applications

Double perovskites are emerging materials for solar cell and thermoelectric applications due to their environmentally friendly nature, high stability, and excellent functioning. In the current article, electronic, mechanical, optical, and transport analysis of K2NaTlX6 (X = Cl, Br, I) have been investigated systematically by first principles approach. The structural strength has been evaluated by tolerance factor and thermodynamic stability has been evaluated by the calculation of formation energy. The elastic constants illustrate mechanical stability, ductile nature, and thermodynamic behavior. The band gaps change from 3.33 eV to 2.00 eV, and to 0.54 eV upon changing the halogens from Cl to Br to I, respectively. Therefore, change in absorption bands from ultraviolet to visible or infrared regime suggests that K2NaTlX6 double perovskites can have diverse energy conversion applications. The first absorption band of K2 …

Authors

Abeer Mera,Abdelkareem Almeshal,Syed Awais Rouf,Taharh Zelai,AI Aljameel,Othman Hakami,Q Mahmood

Journal

Chemical Physics Letters

Published Date

2023/10/16

Physical characteristics of crystal, magnetic and electronic structures of Ce3+-based cubic perovskites CeTmO3 [Tm3+= Sc, Ti, V] investigated via the first-principles …

Main physical characteristics such as crystal, magnetic and electronic structures of cerium-based cubic perovskites CeTmO3 compounds [Tm3+ = Sc, Ti, V] are systematically investigated via the first-principles computations. Full-potential linear augmented plane wave (FPLAPW) with the local density approximation (LDA) and generalized gradient approximation (GGA) under two functionals, Perdew–Burke–Ernzerhof (PBE-GGA) and Wu–Cohen (WC-GGA), based on the density functional theory (DFT), are executed in the Wien2k-19.1 package. In addition, the correlated functional (GGA+U) is utilized to compute the magnetic and electronic structures. The optimized parameters confirm the cubic structures of CeTmO3 compounds with space group Pm-3m, no. 221, and the obtained lattice constants are in good agreement with the available experimental and DFT values. The electronic band structures, density of states …

Authors

M Musa Saad H.-E,A Almeshal,Ahmed Elhag,BO Alsobhi,DP Rai

Journal

Indian Journal of Physics

Published Date

2023/6

Structural, elastic, thermodynamic, electronic, magnetic, thermoelectric and optical investigation of chromate spinels TCr2O4 [T= V2+, Mn2+, Fe2+] for optoelectronic applications

Abstract Spinel oxides (TM 2 O 4) containing transition metals are gaining vast momentum not only for advanced exploration of fundamental properties but also because of their potential as promising materials for various technological applications, such as microwaves, fuel cells, sensors, information storage, supercapacitors, magnetic fluids, photocatalysis and biomedical devices. In this regard, the structural, elastic, thermodynamic, electronic, magnetic, thermoelectric and optical properties of three related chromate spinels (TCr 2 O 4) with 3d transition metals (T 2+= V, Mn, Fe) have been systematically investigated. The Perdew-Burke-Ernzerh (PBE) functional and the exchange-correlation method (PBE+ U) based on the generalized gradient approximation were used to investigate these properties. The elastic parameters confirm that TCr 2 O 4 compounds are mechanically stable and possess stiffness and …

Authors

BO Alsobhi,A Almeshal

Journal

Materials Chemistry and Physics

Published Date

2023/1/15

Structural evolution, dielectric relaxation, and charge transport characteristics of formamidinium lead iodide (FAPbI3) perovskite

Recently, hybrid halide perovskite solar cells have drawn the researchers’ attention, owing to their high-power conversion efficiency. Among the different compounds, MAPbI3 (MA = Methylammonium CH3NH3) and FAPbI3 (FA = Formamidinium CH(NH2)2) are especially potential candidates since their bandgap suited the energy range of visible light. Here, the hybrid perovskite FAPbI3 is successfully synthesized via the inverse temperature crystallization method. Different characterization techniques such as variable-temperature structural analyses, differential scanning calorimetry (DSC), and impedance spectroscopic analysis show that FAPbI3 presents a phase transition at T = 300 K from the hexagonal to the cubic symmetry. Optical analysis of FAPbI3 shows the direct band-gap value of ∼1.4 eV. FAPbI3 is characterized by impedance spectroscopy technique performed in the 10−1–106 Hz frequency and 210 …

Authors

Mohamed Ben Bechir,Abdelkareem Almeshal,Mohamed Houcine Dhaou

Journal

Materials Research Bulletin

Published Date

2023/1/1

Interpretation of the giant dielectric constant in the single crystal of the CH3NH3PbBr3 perovskite

The dielectric studies of the CH 3 NH 3 PbBr 3 single crystal were conducted in wide frequency and temperature ranges. The giant dielectric constant (up to 10 6) which was obtained at low frequencies based on these measurements was considered according to the induced polarization of the electrodes caused by the migration of ions and also the intrinsic polarization included in the hybrid network. Various temperature and frequency evolution regimes were shown and considered for the electrical conductivity (σ′(ω, T), σ ″(ω, T)) and the dielectric functions (ε′(ω, T), ε ″(ω, T)). In accordance with the Cole-Cole relaxation model and the Debye relaxation theory, pertinent phenomenological approaches were used in order to examine the included dielectric properties as well as the conductivity behavior. Hence, at high temperatures, the migration of the CH 3 NH 3+ ions augments electrode polarization in the low …

Authors

Mohamed Ben Bechir,Abdelkareem Almeshal,Mohamed Houcine Dhaou

Journal

Materials Research Bulletin

Published Date

2022/5/1

The optimized of tunable all-inorganic metal halide perovskites CsNBr3 as promising renewable materials for future designing of photovoltaic solar cells technologies

We report the study of chemical and physical characteristics of all-inorganic metal halide perovskites CsNBr3 (N2+  = Ge, Sn, Pb) via implementation of first-principles approaches in the framework of density functional theory (DFT) methodologies. Three different DFT approximations include Perdew–Burke–Ernzerhof (PBE), PBESOL, and Wu-Cohen (WC) within the generalized gradient approximation (GGA) based on the full-potential linearized augmented plane-wave (FPLAPW) scheme are used in unification with Kohn–Sham (KS) equation as executed in WIEN2k package. In addition, the hybrid functional (HSE06) was utilized to reproduce accurate energy-gaps (Egap) in the PBE-band-structures of CsNBr3 perovskites. It is found that the present results of GGA approaches for structural, electronic, and optical properties are consistent with the existing experimental and previous DFT data, where PBE gives …

Authors

Mohamed Musa Hasb-Elkhalig,A Almeshal,BO Alsobhi

Journal

The European Physical Journal B

Published Date

2022/4

Precise control of single-phenanthrene junction’s conductance

The electronic transmission of fifteen potential configurations of the single-phenanthrene junction has been theoretically investigated. The structures include para–para, para–meta, and meta–meta combined with phenyl pendant group and substituted nitrogen atom. The results show that the para–meta, which offers a tunable anti-resonance in the HOMO–LUMO gap, is the most suitable for synthesizing nanodevice. The anti-resonance is susceptible (unsusceptible) to the hetero-motif location at site four (five). Hence, our paper presents the appropriate hetero-motif conditions—type and location—to synthesize molecular devices with the desired electronic conductance. The paper calculations also deepen the understanding of molecular conductance by demonstrating the active and inactive sites to create and tune anti-resonances. It finally introduces the essential impact of connectivity, quantum interference, and …

Authors

Abdelkareem Almeshal,Alaa A Al-Jobory,Zainelabideen Yousif Mijbil

Journal

Journal of Computational Electronics

Published Date

2022/2

Dielectric properties and charge transfer mechanism of Li1+ xAlxTi2− x (PO4) 3 ceramic electrolyte used in lithium batteries

The use of solid-state electrolytes (SSEs) instead of liquid organic electrolytes presents one of the important means to increase the energy density and resolve the protection issues of lithium batteries. The development of SSEs compounds, which can suit high-voltage cathodes and lithium metal anode (LMA) is rather important to progress high-energy–density lithium batteries. Among the different compounds, lithium aluminum titanium phosphates (LATP) are especially potential candidates for all-solid-state batteries (ASSBs) since their present high ionic conductivity, superior air stability, and low cost. In this paper, the Li1+xAlxTi2−x(PO4)3 (LATP) compounds with different mixtures have been synthesized via solid-state technique. The rhombohedral phase (space group ) of these samples is confirmed through the powder X-ray diffraction measurements. The thermogravimetric (TG) measurements show that …

Authors

Mohamed Ben Bechir,Abdelkareem Almeshal,Mohamed Houcine Dhaou

Journal

Ionics

Published Date

2022/12

Physics instructors’ teaching experiences in pre and during Covid-19 times: A quantitative inquiry for insights in the Saudi context

Teachers have reported a range of experiences that came in the offing with the switch of the academic world to tech-based means in the Covid-19 times. This study explores the teaching experiences of Physics teachers in the pre and during Covid-19 pandemic era in the Saudi context. It employs a qualitative design by interviewing 15 physics teachers in a Saudi University. Data analysis was based on coding, categorization, and thematic study. Participants are eleven male and three female PhD holders and one female teaching assistant, at the College of Sciences and Arts, Methnab, Qassim University. Results showed that successful strategies in teaching physics before Covid-19 are face-toface interaction, proper constructive dialogue between teachers and students, and fair evaluation of performance and outputs. Looking deeper at the responses of the teachers about the specific teaching strategies which can develop knowledge, cognitive skills, interpersonal skills, and communication skills of the students before and during the Covid-19 era, and whether online or face to face teaching is more effective, it is seen that teachers believe that the mode is not. A key factor in Physics teaching but the

Authors

Abdelkareem Mohammed Almeshal,Arif Ahmed Mohammed Hassan Al-Ahdal

Journal

Journal of Positive Psychology and Wellbeing

Published Date

2021

Theory and Modelling of Quantum Transport in Molecular-Scale Structures

The theoretical work carried out in this thesis presents the electrical properties of two different types of two terminal molecular junctions: one dealing with gold electrodes which form gold| molecule| gold structures and the other with a graphene sheet and gold electrodes forming gold| molecule| graphene junctions. The theoretical tools employed are firstly, density functional theory (DFT). Chapter 2 presents an introduction to the theoretical concept of DFT and the implementation used in this work, namely the SIESTA code. The second tool is the quantum transport code GOLLUM. To introduce this technique in Chapter 3, I present solutions of Green’s functions for infinite and semi-infinite chains and the transmission coefficient equation which forms the theoretical basis of this code. The main results of this thesis are as follows:

Authors

Abdelkareem Mohammed Almeshal

Published Date

2020

Redox control of charge transport in vertical ferrocene molecular tunnel junctions

Controlling charge transport through molecular tunnel junctions is of crucial importance for exploring basic physical and chemical mechanisms at the molecular level and realizing the applications of molecular devices. Here, through a combined experimental and theoretical investigation, we demonstrate redox control of cross-plane charge transport in a vertical gold/self-assembled monolayer (SAM)/graphene tunnel junction composed of a ferrocene-based SAM. When an oxidant/reductant or electrochemical control is applied to the outside surface of the neutral single-layer graphene top electrode, reversible redox reactions of ferrocene groups take place with charges crossing the graphene layer. This leads to counter anions on the outer surface of graphene, which balance the charges of ferrocene cations in the oxidized state. Correspondingly, the junctions switch between a high-conductance, neutral state with …

Authors

Chuancheng Jia,Iain M Grace,Peiqi Wang,Abdelkareem Almeshal,Zhihong Huang,Yiliu Wang,Peng Chen,Laiyuan Wang,Jingyuan Zhou,Ziying Feng,Zipeng Zhao,Yu Huang,Colin J Lambert,Xiangfeng Duan

Journal

Chem

Published Date

2020/5/14

Abdelkareem M Almeshal FAQs

What is Abdelkareem M Almeshal's h-index at Qassim University?

The h-index of Abdelkareem M Almeshal has been 3 since 2020 and 3 in total.

What are Abdelkareem M Almeshal's top articles?

The articles with the titles of

First Principle Investigation of Half Metallic Ferromagnetism and Thermoelectric Behavior of MgSm2 (S/Se) 4 Spinels for Spintronic and Energy Harvesting Applications

Orthorhombic structure and optoelectronic properties of 3d transition metal diantimonides TMSb2 (TM2+= V, Cr, Fe)

Tuning of band gap and enhancing electronic properties of CsSnBr3 under high pressure for optoelectronic applications

DFT modeling techniques to understand the potential applicability of novel double perovskite semiconductor Ba2LuNbO6 for sustainable thermoelectrics and optoelectronic perspectives

Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X= Cl, Br, I) for solar cells and transport applications

Physical characteristics of crystal, magnetic and electronic structures of Ce3+-based cubic perovskites CeTmO3 [Tm3+= Sc, Ti, V] investigated via the first-principles …

Structural, elastic, thermodynamic, electronic, magnetic, thermoelectric and optical investigation of chromate spinels TCr2O4 [T= V2+, Mn2+, Fe2+] for optoelectronic applications

Structural evolution, dielectric relaxation, and charge transport characteristics of formamidinium lead iodide (FAPbI3) perovskite

...

are the top articles of Abdelkareem M Almeshal at Qassim University.

What are Abdelkareem M Almeshal's research interests?

The research interests of Abdelkareem M Almeshal are: Theory of Molecular-Scale Transport

What is Abdelkareem M Almeshal's total number of citations?

Abdelkareem M Almeshal has 65 citations in total.

What are the co-authors of Abdelkareem M Almeshal?

The co-authors of Abdelkareem M Almeshal are Xiangfeng Duan, Colin J. Lambert, Chuancheng Jia, Iain Grace, Peng Chen, Jingyuan Zhou.

    Co-Authors

    H-index: 148
    Xiangfeng Duan

    Xiangfeng Duan

    University of California, Los Angeles

    H-index: 64
    Colin J. Lambert

    Colin J. Lambert

    Lancaster University

    H-index: 32
    Chuancheng Jia

    Chuancheng Jia

    University of California, Los Angeles

    H-index: 30
    Iain Grace

    Iain Grace

    Lancaster University

    H-index: 29
    Peng Chen

    Peng Chen

    University of California, Los Angeles

    H-index: 24
    Jingyuan Zhou

    Jingyuan Zhou

    University of California, Los Angeles

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