M. M. Hossain
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View article: Environmental influences on stomatal traits of mangrove Ceriops decandra (Griffith) Ding Hou in the Sundarbans, Bangladesh
Environmental influences on stomatal traits of mangrove Ceriops decandra (Griffith) Ding Hou in the Sundarbans, Bangladesh Open
Quantifying how stomatal traits respond to multiple interacting environmental variables is crucial for understanding plant adaptations under changing environment. Based on trait and environmental data collected from the three salinity zone…
View article: Structural, optical, and photocatalytic efficacy of Ti3C2 and M2C (M=Ti, V, Cr, Nb) MXene materials synthesized by etching technique
Structural, optical, and photocatalytic efficacy of Ti3C2 and M2C (M=Ti, V, Cr, Nb) MXene materials synthesized by etching technique Open
The etching process was used to create MXenes (Nb2C, Ti2C, Ti3C2, Cr2C, and V2C) utilizing their respective predecessors, MAX phases Nb2AlC, Ti2AlC, Ti3AlC2, Cr2AlC, and V2AlC. The surface morphology and structural characteristics of the m…
View article: Au-Based Novel Synthesized Ti4au3c3: Realization of New Diversity in Max Phase Family
Au-Based Novel Synthesized Ti4au3c3: Realization of New Diversity in Max Phase Family Open
View article: Au-based Novel Synthesized Ti4Au3C3: Realization of New Diversity in MAX Phase Family
Au-based Novel Synthesized Ti4Au3C3: Realization of New Diversity in MAX Phase Family Open
View article: A Comprehensive Study of Re Ions Ho Doped Ni-Zn Nanoferrites Synthesized by Sol-Gel Auto-Combustion Techniques
A Comprehensive Study of Re Ions Ho Doped Ni-Zn Nanoferrites Synthesized by Sol-Gel Auto-Combustion Techniques Open
View article: Tuning the opto-electronic properties of BaTiO <sub>3</sub> by S substitution towards energy harvesting applications: a DFT insight using the VASP code
Tuning the opto-electronic properties of BaTiO <sub>3</sub> by S substitution towards energy harvesting applications: a DFT insight using the VASP code Open
This study used first-principles DFT (VASP) to investigate the structural, electrical, optical, mechanical, and thermal properties of sulfur-substituted BaTiO 3− x S x perovskites.
View article: Numerical optimization of Rb <sub>2</sub> AuScBr <sub>6</sub> and Rb <sub>2</sub> AuScCl <sub>6</sub> -based lead-free perovskite solar cells: device engineering and performance mapping
Numerical optimization of Rb <sub>2</sub> AuScBr <sub>6</sub> and Rb <sub>2</sub> AuScCl <sub>6</sub> -based lead-free perovskite solar cells: device engineering and performance mapping Open
(a and b) Solar cell device configuration and (c and d) quantum efficiency of Rb 2 AuScBr 6 and Rb 2 AuScCl 6 absorber materials.
View article: Insight into the Physical Properties of the Chalcogenide XZrS3 (X = Ca, Ba) Perovskites: A First-Principles Computation
Insight into the Physical Properties of the Chalcogenide XZrS3 (X = Ca, Ba) Perovskites: A First-Principles Computation Open
This study investigates the structural, mechanical, optical, thermal, and electronic properties of the ionic semiconducting materials XZrS 3 (X = Ca, Ba) within the framework of density functional theory (DFT). Here, the elastic constants,…
View article: DFT mediated X2AuYZ6 (X= Cs, Rb; Z= Cl, Br, I) double Perovskites for photovoltaic and wasted heat management device applications
DFT mediated X2AuYZ6 (X= Cs, Rb; Z= Cl, Br, I) double Perovskites for photovoltaic and wasted heat management device applications Open
This paper presents the phase stability, opto-electronic and thermo-electric behavior of X2AuYZ6 (X = Cs, Rb; Z = Cl/Br/I) double perovskite halides by using the DFT method. The compounds belong to the cubic arrangement and are verified by…
View article: Insights into the unrevealed physical properties of Sc2Al2C3 compared with other Sc-Al-C systems via ab-initio investigation
Insights into the unrevealed physical properties of Sc2Al2C3 compared with other Sc-Al-C systems via ab-initio investigation Open
In this study, an attempt has been made to explore the physical characteristics of Sc2Al2C3, including a first-time investigation of elastic anisotropy, thermodynamic, and optical properties. The physical properties of other Sc-Al-C system…
View article: Ab-initio insights into the physical properties of XIr3 (X = La, Th) superconductors: A comparative analysis
Ab-initio insights into the physical properties of XIr3 (X = La, Th) superconductors: A comparative analysis Open
Here we report the structural, elastic, bonding, thermo-mechanical, optoelectronic and superconducting state properties of recently discovered XIr3 (X = La, Th) superconductors utilizing the density functional theory (DFT) using two differ…
View article: Prediction of phase composition and mechanical properties Fe–Cr–C–B–Ti–Cu hardfacing alloys: Modeling and experimental Validations
Prediction of phase composition and mechanical properties Fe–Cr–C–B–Ti–Cu hardfacing alloys: Modeling and experimental Validations Open
View article: A comprehensive first-principles insights into the physical properties of binary intermetallic Zr3Ir compound
A comprehensive first-principles insights into the physical properties of binary intermetallic Zr3Ir compound Open
We have looked into the structural, mechanical, optoelectronic, superconducting state and thermophysical aspects of intermetallic compound Zr3Ir using the density functional theory (DFT). Many of the physical properties, including detailed…
View article: Oxysulfide Perovskites: Reduction of the Electronic Band Gap of RbTaO3 by Sulfur Substitution to Enhance Prospective Solar Cell and Thermoelectric Performances
Oxysulfide Perovskites: Reduction of the Electronic Band Gap of RbTaO3 by Sulfur Substitution to Enhance Prospective Solar Cell and Thermoelectric Performances Open
In this study, the effects of sulfur substitution on the structural, mechanical, electronic, optical, and thermodynamic properties of RbTaO3-xSx have been investigated using the WIEN2k code in the framework of density functional theory (DF…
View article: DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology
DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology Open
In this work, density functional theory (DFT) is used to find out the ground state structures of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double Perovskite (DP) halides for the first time. The DP A2AuScX6 halides were studied for their structura…
View article: Ab-initio insights into the physical properties of XIr3 (X = La, Th) superconductors: A comparative analysis
Ab-initio insights into the physical properties of XIr3 (X = La, Th) superconductors: A comparative analysis Open
Here we report the structural, elastic, bonding, thermo-mechanical, optoelectronic and superconducting state properties of recently discovered XIr3 (X = La, Th) superconductors utilizing the density functional theory (DFT). The elastic, bo…
View article: DFT Insights into MAX Phase Borides Hf<sub>2</sub>AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf<sub>2</sub>AC [A = S, Se, Te]
DFT Insights into MAX Phase Borides Hf<sub>2</sub>AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf<sub>2</sub>AC [A = S, Se, Te] Open
In this work, density functional theory (DFT)-based calculations were performed to compute the physical properties (structural stability, mechanical behavior, and electronic, thermodynamic, and optical properties) of synthesized MAX phases…
View article: A comprehensive exploration of the physical properties of M2GaB (M = Ti, Zr, Mo, Hf) through DFT method
A comprehensive exploration of the physical properties of M2GaB (M = Ti, Zr, Mo, Hf) through DFT method Open
The M2GaB (M = Ti, Zr, Mo, Hf) MAX phase borides were investigated in the present study. We have calculated the fracture toughness, brittleness index, acoustic behavior, Mulliken bond-overlap population, theoretical Vickers hardness, f-ind…
View article: First-principles calculations to investigate structural, elastic, electronic, optical and thermal properties of La-based ternary intermetallic superconductors LaM2Si2 (M=Co, Cu, Rh, Pd, Ag, Ir, Pt, Au)
First-principles calculations to investigate structural, elastic, electronic, optical and thermal properties of La-based ternary intermetallic superconductors LaM2Si2 (M=Co, Cu, Rh, Pd, Ag, Ir, Pt, Au) Open
Different physical properties of ternary intermetallic La-based superconducting materials LaM2Si2 (M = Co, Cu, Rh, Pd, Ag, Ir, Pt, Au) are examined through the self consistent ab-initio scheme depending on the DFT replication. The main pur…
View article: DFT approach into the physical properties of MTe3 (M = Hf, Zr) superconductors: A comprehensive study
DFT approach into the physical properties of MTe3 (M = Hf, Zr) superconductors: A comprehensive study Open
In this article, we investigated the structural, electronic, mechanical, optical, and superconducting state properties of the trichalcogenides, MTe3(M = Hf, Zr) compounds using the density functional theory. Electronic energy dispersion cu…
View article: A comprehensive ab-initio insights into the pressure dependent mechanical, phonon, bonding, electronic, optical, and thermal properties of CsV3Sb5 Kagome compound
A comprehensive ab-initio insights into the pressure dependent mechanical, phonon, bonding, electronic, optical, and thermal properties of CsV3Sb5 Kagome compound Open
In this paper, we have presented a comprehensive study of the physical properties of Kagome superconductor CsV3Sb5 using the density functional theory (DFT) methodology. The structural, mechanical, electronic properties (band structure, el…
View article: Comprehensive first-principles insights into the physical properties of intermetallic Zr$_3$Ir: a noncentrosymmetric superconductor
Comprehensive first-principles insights into the physical properties of intermetallic Zr$_3$Ir: a noncentrosymmetric superconductor Open
We have looked into the structural, mechanical, optoelectronic, superconducting state and thermophysical aspects of intermetallic compound Zr$_3$Ir using the density functional theory (DFT). Many of the physical properties, including direc…
View article: First principles study of mechanical, thermal, electronic, optical and superconducting properties of C40-type germanide-based MGe2 (M = V, Nb and Ta)
First principles study of mechanical, thermal, electronic, optical and superconducting properties of C40-type germanide-based MGe2 (M = V, Nb and Ta) Open
Non-centrosymmetric germanide-based superconductors have recently attracted particular attention because of their unconventional physical properties. In the present study, we comprehensively investigated the structural and hitherto unexplo…
View article: DFT insights into MAX phase borides Hf2AB [A = S, Se, Te] in comparison with MAX phase carbides Hf2AC [A = S, Se, Te]
DFT insights into MAX phase borides Hf2AB [A = S, Se, Te] in comparison with MAX phase carbides Hf2AC [A = S, Se, Te] Open
In this work, density functional theory (DFT) based calculations were performed to compute the physical properties (structural stability, mechanical behavior, electronic, thermodynamic, and optical properties) of synthesized MAX phases Hf2…
View article: Impact of M atomic species on physical properties of M2TlC (M = Ti, Zr, Hf): A first principles calculation
Impact of M atomic species on physical properties of M2TlC (M = Ti, Zr, Hf): A first principles calculation Open
We characterize the physical feature of M2TlC (M = Ti, Zr, and Hf) MAX phase ternary carbides applying density functional theory. Along with previously calculated structural, elastic, and electrical properties, Vickers hardness, dynamical …
View article: An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells
An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells Open
Cesium tin chloride (CsSnCl 3 ) is a potential and competitive absorber material for lead-free perovskite solar cells (PSCs). The full potential of CsSnCl 3 not yet been realized owing to the possible challenges of defect-free device fabri…
View article: Ab-Initio Insights into the Physical Properties of Xir3 (X = La, Th) Superconductors: A Comparative Analysis
Ab-Initio Insights into the Physical Properties of Xir3 (X = La, Th) Superconductors: A Comparative Analysis Open
View article: Impact of reaction temperatures on the particle size of V2O5 synthesized by facile hydrothermal technique and photocatalytic efficacy in dye degradation
Impact of reaction temperatures on the particle size of V2O5 synthesized by facile hydrothermal technique and photocatalytic efficacy in dye degradation Open
In this study, the influence of hydrothermal reaction temperatures on V2O5synthesized via a green facile mild hydrothermal method at six different reaction temperatures ranging from 100 to 200 °C, at steps of 20 °C and the physical propert…
View article: Comprehensive First-Principles Insights into the Physical Properties of Binary Intermetallic Zr3ir Compound
Comprehensive First-Principles Insights into the Physical Properties of Binary Intermetallic Zr3ir Compound Open
View article: Graphene-like emerging 2D materials: recent progress, challenges and future outlook
Graphene-like emerging 2D materials: recent progress, challenges and future outlook Open
The exploration of the unique physiochemical properties of 2D materials, led by graphene in numerous aspects, the scientific community has been intrigued in excavating a new class of graphene-like 2D materials for next-generation technolog…