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

Tue May 01 2018

Journal Name

Journal Of Physics: Conference Series

Study electron transport coefficients for Ar, O2 and their mixtures by using EEDF program

D S Abdul

B J

M K

...Show More Authors

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(1)

Publication Date

Tue Oct 01 2024

Journal Name

Journal Of Physics: Conference Series

An investigation into the implications of partial substitution of selenium with lead on the thermal properties for S60Se40-XPbX Chalcogenide Compound

Engineering controlled terms Electric arc furnaces

Glass manufacture

Lead alloys

Melting point

Selenium compounds Engineering uncontrolled terms 950° C

Chalcogenide compound

Melting point method

Partial substitution

Property

Quartz ampoule

Quartz tubes

Rapid cooling

Thermal

Weight ratios Engineering main heading Heat flux

Kareem

Mohamed

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AbstractThis study includes the manufacture of four ternary alloys represented S60Se40-XPbX with weight ratios x = 0, 10, 20, and 30 by the melting point method. The components of each alloy were mixed separately, then placed in quartz ampoules and vacuumed out with a vacuum of roger that 10−4 Torr. The ampule was heated in two stages to avoid sudden dissipation and precipitation of selenium on the inner mass of the quartz tube. The ampoule was gradually heated and kept at 450°C for approximately 4 hours followed by 950°C for 10 hours.at a rate of 10 degrees Celsius, the temperature of the electric furnace ... Show More

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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

Sun Nov 01 2020

Journal Name

Iop Conference Series: Materials Science And Engineering

Effect of Germanium Content on the Optical Constants of GexS1-x Thin Films

Ge xS1-xchalcogene thin films

optical constants

energy gap.

Bushra A.

Mohammed Abidalhur

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AbstractIn this study the alloys Ge xS1-x with different Ge content (x=0, 0.1,0.2 and 0.3) wt.% have been successfully prepared by evacuated quartz tube under vacuum pressure (10−2Torr), whereas Ge xS1-x thin films were prepared by thermal evaporation technique under vacuum (10−5Torr) with (x=0,0.1,0.2 and 0.3). The optical properties measurements shows that the optical energy gap decrease from (3.4 to 3 eV) with the increase of x content, the optical constants declare significant variation with x content variation.

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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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(3)

(4)

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

...Show More Authors

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(3)

(1)

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

...Show More Authors

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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(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

...Show More Authors

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(69)

(65)

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

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 N.

Hussein A.

Imad H.

Kareem A.

...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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