Bilayer MSe2 (M = Zr, Hf, Mo, W) performance as a hopeful thermoelectric materials

Mahmood Radhi Jobayr; Ebtisam M-T. Salman

doi:10.1088/1674-4926/44/3/032001

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Publication Date

Wed Mar 01 2023

Journal Name

Journal Of Semiconductors

Volume

44

Issue Number

3

DOI

10.1088/1674-4926/44/3/032001

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Bilayer MSe2 (M = Zr, Hf, Mo, W) performance as a hopeful thermoelectric materials

ZT

thermoelectric property

2D-bilayer

Boltzmann-transport equation

TE power factor

Mahmood Radhi Jobayr

Ebtisam M-T. Salman

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AbstractSignificant advancements in nanoscale material efficiency optimization have made it feasible to substantially adjust the thermoelectric transport characteristics of materials. Motivated by the prediction and enhanced understanding of the behavior of two-dimensional (2D) bilayers (BL) of zirconium diselenide (ZrSe2), hafnium diselenide (HfSe2), molybdenum diselenide (MoSe2), and tungsten diselenide (WSe2), we investigated the thermoelectric transport properties using information generated from experimental measurements to provide inputs to work with the functions of these materials and to determine the critical factor in the trade-off between thermoelectric materials. Based on the Boltzmann transport equation (BTE) and Barden-Shockley deformation potential (DP) theory, we carried out a series of investigative calculations related to the thermoelectric properties and characterization of these materials. The calculated dimensionless figure of merit (ZT) values of 2DBL-MSe2 (M = Zr, Hf, Mo, W) at room temperature were 3.007, 3.611, 1.287, and 1.353, respectively, with convenient electronic densities. In addition, the power factor is not critical in the trade-off between thermoelectric materials but it can indicate a good thermoelectric performance. Thus, the overall thermal conductivity and power factor must be considered to determine the preference of thermoelectric materials.

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Publication Date

Sun Nov 01 2020

Journal Name

Iop Conference Series: Materials Science And Engineering

Thermophysical properties of [EMIM][BF4] and [HMIM][PF6] imidazolium ionic liquids with MWCNTs

[EMIM][BF4]

[HMIM][PF6]

imidazolium ionic liquids

MWCNTs

Huda Majid

Basma A.

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AbstractIn this study, several ionanofluids (INFs) were prepared in order to study their efficiency as a cooling medium at 25 °C. The two-step technique is used to prepare ionanofluid (INF) by dispersing multi-walled carbon nanotubes (MWCNTs) in two concentrations 0.5 and 1 wt% in ionic liquid (IL). Two types of ionic liquids (ILs) were used: hydrophilic represented by 1-ethyl-3-methylimidazolium tetrafluoroborate [EMIM][BF4] and hydrophobic represented by 1-hexyl-3-methylimidazolium hexafluorophosphate [HMIM][PF6]. The thermophysical properties of the prepared INFs including thermal conductivity (TC), density and viscosity were measured experimental ... Show More

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Publication Date

Wed May 01 2024

Journal Name

Journal Of Physics: Conference Series

Study of The Effect of Concentration on The Efficiency of The Sensitive N749-TiO2 Solar Cell

Mahdi

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AbstractIn this research, we studied the effect of concentration carriers on the efficiency of the N749-TiO2 heterogeneous solar cell based on quantum electron transfer theory using a donor-acceptor scenario. The photoelectric properties of the N749-TiO2 interfaces in dye sensitized solar cells DSSCs are calculated using the J-V curves. For the (CH3)3COH solvent, the N749-TiO2 heterogeneous solar cell shows that the concentration carrier together with the strength coupling are the main factors affecting the current density, fill factor and efficiency. The current density and current increase as the concentration increases and the ... Show More

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Publication Date

Tue Jan 01 2019

Journal Name

Indian Journal Of Public Health Research & Development

Effect of Olea europea L Extraction and TiO2 Nanoparticles against Pseudomonas aeruginosa

Rana

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(1)

Publication Date

Tue Oct 24 2023

Journal Name

Chemical Engineering & Technology

Electrodeposition of Manganese Dioxide under Different Conditions: Application of MnO2/Carbon Fibers in the Electrosorption Process

Carbon fiber

Chromium(VI)

Electrodeposition

Electrosorption

Manganese dioxide

Zainab M.

Rasha H.

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AbstractAnodic electrodeposition was used to synthesize a composite electrode of nanostructured manganese dioxide/carbon fiber (CF) galvanostatically. Different characterization results of the nanostructured MnO2 were obtained by varying the H2SO4 concentration and the current density. Field emission scanning electron microscopy, X‐ray diffraction, and atomic force microscopy were utilized to characterize the prepared composite electrodes. The best conditions were: 0.3 mA cm−2 current density and 0.64 M H2SO4 concentration. The electrosorption performance of the MnO ... Show More

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(1)

Publication Date

Fri Mar 10 2017

Journal Name

Superconductor Science And Technology

Conceptual designs of conduction cooled MgB2 magnets for 1.5 and 3.0 T full body MRI systems

Tanvir

Abdullah

Robert J

Laith

Charles

Robert W

Michael

David

Matthew

Xuan

Robert

Ozan

Michael

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(53)

Publication Date

Sun Nov 10 2019

Journal Name

Journal Of Engineering And Applied Sciences

Fabrication and Properties of Ag2O/Si Heterojunction Solar Cell Pure and Doped (Sb, Sn and Se)

Bushra

Kadhim

Tagreed

...Show More Authors

View Publication

Publication Date

Fri Apr 01 2022

Journal Name

International Journal Of Nanoscience

Study of the Interaction Between Reduced Graphene Oxide and NO2Gas Molecules via Density Functional Theory (DFT)

Shaima K.

Mohammed T.

Mudar Ahmed

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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C₂₄, reduced graphene oxide (rGO) C₂₄O₅and interaction between C₂₄O₅and NO₂gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was em

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(4)

(1)

Publication Date

Sun Nov 01 2020

Journal Name

Journal Of Physics: Conference Series

Laser Irradiation Effect on The Optical Properties of CoO2Thin Films deposited via Semi-Computerized Spraying System

Mushtaq Talib

Nathera

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AbstractIn this paper deals with the effect laser irradiation on the optical properties of cobalt oxide (CoO2) thin films and that was prepared using semi computerized spray pyrolysis technique. The films deposited on glass substrate using such as an ideal value concentration of (0.02)M with a total volume of 100 ml. With substrate temperature was (350 C), spray rate (15 ml/min).The XRD diffraction given polycrystalline nature with Crystal system trigonal (hexagonal axes). The obtained films were irradiated by continuous green laser (532.8 nm) with power 140 mW for different time periods is 10 min,20min and 30min. The result was that the optical properties of cobalt oxide thin films affe ... Show More

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Publication Date

Sat May 01 2021

Journal Name

Journal Of Physics: Conference Series

The effect of the Doping with Cobalt Transition Metal on the Dielectric and Structural Properties of Fe0.5CoxMg0.95-xO Nanoparticles Synthesized by Sol-Gel Assisted Auto-Combustion

Tagreed M.

Omar A.

Imad H.

T.A.

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AbstractThe compound Fe0.5CoxMg0.95-xO where (x= 0.025, 0.05, 0.075, 0.1) was prepared via the sol-gel technique. The crystalline nature of magnesium oxide was studied by X-ray powder diffraction (XRD) analysis, and the size of the sample crystals, ranging between (16.91-19.62nm), increased, while the lattice constant within the band (0.5337-0.4738 nm) decreased with increasing the cobalt concentration. The morphology of the specimens was studied by scanning electron microscopy (SEM) which shows images forming spherical granules in addition to the presence of interconnected chips. The presence of the elements involved in the super ... Show More

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Publication Date

Mon Aug 01 2022

Journal Name

Optik

Assessing the optoelectronic performance of d-orbital doped cubic HfO2: The case of W, Nb, and Mo

Zainab

...Show More Authors

This contribution provides an atomistic understanding into the impact of W, Nb, and Mo co-substitution at Hf-site of cubic HfO2 lattice to produce Hf1−xTMxO2 system at x = 25%. The calculations have been performed under the framework of density functional theory supported by Habbured parameter (DFT+U). Structural analysis demonstrates that the recorded lattice constants is in good coherence with the previously published results. For the lattice parameters, contraction by 1.33% comparing with the host system has been reported. Furthermore, the doping effect of TM on the band gap leads to its reduction in the resulting Hf0.75TM0.25O2 configurations. The partial density of states (PDOS) indicate that hybridization through localized electroni

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