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Understanding fluid flow, heat, and mass transfer over a stretching cylinder is essential in ascertaining the quality of wire coating and coper thinning. This study looks at the influence of the heat source, thermal radiation, chemical reaction, and natural convection of Carreau fluid flows over a vertical stretching cylinder immersed in a porous medium. Suitable similarity variables are applied to convert the partial governing equations arising in fluid flows, heat, and mass transfer into ordinary differential equations. The optimal homotopy analysis method is then utilized to solve the transformed highly nonlinear governing equations. The impacts of the relevant parameters such as the Weissenberg number, porosity, heat source parameter, radiative number, chemical reaction parameter, mixed convection parameter, and curvature parameter on the dimensionless velocity, temperature, and concentration distribution as well as for the skin friction, Nusselt number, and Sherwood number are discussed through graphs and tables. It is observed that the velocity shows an opposite behavior as compared to temperature, and concentration in shear-thinning, n 1 , and shear-thickening, n ≥ 1 , fluid for an increment of the Weissenberg number. Additionally, the thickness of the momentum, thermal, and concentration boundary layer is enhanced by the curvature of the cylinder.

Hydrogen (H2) is the future energy carrier and it is quite challenging to produce at a large-scale on economic basis. The water splitting technique has achieved a good place in H2 production. To generate efficient electrocatalysts for the Hydrogen evolution reaction (HER), low-cost synthetic designs are necessary. In our study, a one-step co-precipitation reduction process was used to synthesize NiWS electrocatalyst. The crystalline structure, phase purity, elemental composition and the surface morphology of the as-prepared samples have been examined by different characterization techniques. These techniques have proved that the elemental presence and formation of NiWS with high crystalline nature (rhombohedral). Furthermore, the performance of the electrocatalyst towards HER has been evaluated through electrochemical methods. On analysis, NiWS/CNT showed an excellent electrochemical activity of 175 mV, and pure NiWS showed 201 mV at 10 mA/cm2 in an alkaline electrolyte. These over-potential values are lower than HER in acid and neutral electrolytes. Further, the as-prepared NiWS/CNT proved to be a highly stable and efficient platinum-free electrocatalyst for HER.

Solid polymer electrolytes containing methylcellulose:dextran (MC-DEX), ammonium hexafluorophosphate (NH4PF6), and glycerol have been prepared via the solution cast method. Various techniques have been used to characterize the prepared electrolyte samples. Fourier transform infrared spectroscopy (FTIR) analysis revealed the interaction between polymers and electrolyte components. According to the electrical impedance spectroscopy (EIS), the highest conducting plasticized system achieves a conductivity of 6.71 × 10-4 S cm−1 at ambient temperature. The mobility, number density, and diffusion coefficient of ions were measured using both FTIR and EIS methods, and it was found that their values rise as the amount of glycerol increases. Polarization due to ion migration is responsible for the high value of dielectric parameters. According to transference number measurement (TNM), the transport ion (tion) is 0.92, verifying that the ions are the primary charge carriers. The electrochemical stability window of the maximum conducting plasticized system is 1.58 V, based on linear sweep voltammetry (LSV) analysis. The electrical double-layer capacitor (EDLC) device is fabricated using the highest conducting plasticized system. The cyclic voltammetry (CV) curve is roughly rectangular in shape and with no presence of Faradaic peaks with its specific capacitance of 32.69F/g at 10 mV/s.

The present study involves fabrication and photovoltaic characterization including impedance properties of dye-sensitized solar cells based on natural dye from beetroot. The electrode of the cell was prepared with commercial Fluorine-doped Tin Oxide glass with 100 μm layer of nanostructured TiO2 whereas, the counter electrode consisted of platinum-coated glass. Fresh juice was extracted from beetroot to use as dye. The dye exhibited high absorption in visible range. Photovoltaic measurements of the solar cell gave a short circuit current density (Jsc) of 130 μA/cm2 and an open-circuit voltage (VOC) of 0.38 V under AM 1.5 illumination intensity. The VOC and Jsc showed linear behavior at higher values of illumination intensities. The conductance-voltage, the capacitance-voltage and the series resistance voltage characteristics of the dye solar cell was measured at frequency range from 5 kHz to 5 MHz to study performance of the dye-sensitized solar cells with natural dyes.

Background: Dengue is known as the most severe arboviral infection in the world spread by Aedes aegypti. However, conventional and laboratory-based enzyme-linked immunosorbent assays (ELISA) are the current approaches in detecting dengue virus (DENV), requiring skilled and well-trained personnel to operate. Therefore, the ultrasensitive and label-free technique of the Silicon Nanowire (SiNW) biosensor was chosen for rapid detection of DENV. Methods: In this study, a SiNW field-effect transistor (FET) biosensor integrated with a back-gate of the low-doped p-type Silicon-on-insulator (SOI) wafer was fabricated through conventional photolithography and Inductively Coupled Plasma – Reactive Ion Etching (ICP-RIE) for Dengue Virus type-2 (DENV-2) DNA detection. The morphological characteristics of back-gated SiNW-FET were examined using a field-emission scanning electron microscope supported by the elemental analysis via energy-dispersive X-ray spectroscopy. Results and Discussion: A complementary (target) single-stranded deoxyribonucleic acid (ssDNA) was recognized when the target DNA was hybridized with the probe DNA attached to SiNW surfaces. Based on the slope of the linear regression curve, the back-gated SiNW-FET biosensor demonstrated the sensitivity of 3.3 nAM-1 with a detection limit of 10 fM. Furthermore, the drain and back-gate voltages were also found to influence the SiNW conductance changed. Conclusion: Thus, the results obtained suggest that the back-gated SiNW-FET shows good stability in both biosensing applications and medical diagnosis throughout the conventional photolithography method.

Al-Si die casting Aluminum Alloys, such as A380 and A356 are extensively used in automotive die casting applications due to low thermal expansion coefficient and excellent mechanical properties. The relatively high Silicon (Si) content is inevitable in these alloys due to its role in increasing fluidity and reducing shrinkage. However, Si-phase morphology often have an impact on the mechanical properties. This study aims to highlight how altering the morphology of Si phase in A356 can influence the mechanical properties by the mean of solution heat treatment. High temperature solution heat treatment was applied for 1, 4, 6, and 8 h to investigate the effect on mechanical properties and morphology of A356. The solutionization results in significant improvement to the alloy Quality Index. The solution treatment also results in lowering ultimate tensile strength (UTS) while increasing the elongation of the alloy. The microscopic observation reveals that lamellar eutectic Si structure is broken upon solution heat treatment and subsequently spheroidizes into smaller granular structure, which results in improvement of the elongation and Quality Index.

The study of mass transfer in the non-Newtonian fluid is essential in understanding the engine lubrication, the cooling system of electronic devices, and the manufacturing process of the chemical industry. Optimal performance of the practical applications requires the appropriate conditions. The unsteady transient free convective flow of second-grade fluid with mass transfer and wall transpiration is concerned in the present communication. The behavior of the second-grade fluid under the influence of injection or suction is discussed. Suitable non-dimensional variables are utilized to transform the governing equations into non-dimensional governing equations. A Maple solver “pdsolve” that is using the centered implicit scheme of a finite difference method is utilized to solve the dimensionless governing equations numerically. The effects of wall injection or suction parameter, second-grade fluid viscoelastic parameter, Schmidt number, and modified Grashof number on the velocity and concentration profiles are graphically displayed and analyzed. The results show that with increasing wall suction, viscoelastic parameter, and Schmidt number, the velocity and concentration profiles decrease. Whereas, the velocity profiles show an opposite tendency in situations of wall injection. The wall suction has increased the skin friction and also the rate of mass diffusion in the second-grade fluid.

Growing consumer awareness of the importance of environmentally friendly products has resulted in the development of a number of substitutes for synthetic polymers. The starch-based film is one of the best alternatives; it is a cost-effective material that has been investigated as an excellent raw material for the production of a biodegradable film. Additionally, the development of starch-based films for use as antimicrobial packaging or coating is one of the most promising active packaging systems. Recently, interest in using aloe vera as an organic antimicrobial agent derived from plants has risen significantly. Due to its film-forming properties, antimicrobial properties, and biochemical properties, aloe vera gel has been identified as one of the best biodegradable films. Aloe vera rind also contributes to the film's exceptional properties. This review article summarises and discusses the film formation and properties of aloe vera-based starch-based films, including their physical, thermal, mechanical, antimicrobial, and physiochemical properties.

Microbial fuel cell (MFC) is the most prominent bioelectrochemical approach in electricity generation while metal removal is its secondary application. However, ongoing challenges including low electron transfer rates and unstable biofilm formation on the anode surface need to be addressed. As an attempt to overcome such drawbacks, in the present study, the anode was prepared from graphene oxide (Lg-GO) obtained from lignin and subsequently modified with a metal oxide (i.e., TiO2). Thus, the plain Lg-GO and Lg-GO/TiO2 delivered 57.01 mA/m2 and 70.17 mA/m2 of current density along with 85 % and 90 % of Pb (II) ions removal from synthetic wastewater, respectively within the 90-day operation of MFC. The recorded maximum power density at the Lg-GO anode was 0.44 mW/m2, while the maximum PD at the Lg-GO/TiO2 anode was 0.78 mW/m2. The prepared anodes were characterized, and the operational conditions were optimized to validate their performances. The results showed that the optimum performance of the anode was in normal environmental conditions (e.g., pH 7, room temperature). In conclusion, the obtained results indicated that the prepared electrodes (i.e., Lg-GO and Lg-GO/TiO2) are suitable for energy generation and metal removal via MFC.

This study shows preparation and characterization of solid biopolymer electrolyte based on glycerolized methylcellulose (MC): dextran-doped with ammonium thiocyanate (NH4SCN). The nature of electrolyte composition in terms of interaction is characterized using Fourier transform infrared (FTIR) technique. Lowering and shifting in the intensity of the bands are observed with increasing the quantity of glycerol as a plasticizer, confirming complexation between electrolyte components. Ion transport parameters are determined using both of the methods of EIS and FTIR where the parameters are found to be increased with glycerol concentration. The transport number measurement indicates that ions are the primary charge carrier in the conduction mechanism where tion is found to be 0.961. The maximum DC ionic conductivity value is achieved that found to be 1.63 � 10�3 S cm�1. The ESR values are ranged from 300 to 580 O throughout 450 cycles. The technique of linear sweep voltammetry (LSV) shows the electrochemical stability window of 2 V for the conducting samples. The response of cyclic voltammetry (CV) shows an almost rectangular shape without Faradaic peaks. A galvanostatic charge–discharge investigation has shown the initial specific capacitance, energy density, and power density are 133 F g�1, 18.3 Wh Kg�1, and 680 W Kg�1, respectively.

The application of microbiologically produced polymer, i.e., medium-chain-length poly-3-hydroxyalkanoate (mcl-PHA), in environmental remediation technology was investigated. Mcl-PHA and its graft copolymer, polyhydroxyalkanoate-g-polymethylacrylate (PHA-g-PMA), were used as the supporting matrices to hold zinc oxide microparticles (ZnO MPs). The polymer composites, i.e., neat PHA/ZnO and PHA-g-PMA/ZnO, were tested as the catalytic support materials to enhance photodegradation of an organic dye, i.e., methylene blue (MB). PHA-g-PMA/ZnO film composite yields a significant MB photodegradation compared to the neat PHA/ZnO composite. Photodegradation performance was investigated as MB removal percentage (%) and rate constant of photocatalysis reaction (k). The enhanced photocatalytic performance in PHA-g-PMA is discussed.

Metal oxide semiconductor materials have shown a great potential in the fabrication of heterojunction thin film due to its improved properties for photovolatic mechanism in solar cell application. In this work, p-(111)-Cu2O based heterostructure was successfully developed with uniformity and highly oriented n-TiO2/(002)-ZnO bilayer thin film in order to overcome improper electron mobility between the heterointerface of n and p-type layer by optimizing several properties. n-TiO2/ZnO bilayer acts as window layer deposited on FTO substrate by using sol–gel spin coating method. The crystallize size and transmittance spectrum of n-TiO2 thin film was improved after n-ZnO was coated onto TiO2 thin film. Meanwhile, cyclic voltammetry (CV) measurement was carried out and potential deposition of −0.4 V vs Ag/Cl at 40 °C was acquired. p-Cu2O which acts as absorbing layer was deposited onto n-TiO2/ZnO bilayer by using electrodeposition technique. The successful fabrication of n- TiO2/ZnO/p- Cu2O heterostructure were confirmed by the existence of all peaks on the XRD spectrum. Two strong absorption edges observed and the merged shape of p-Cu2O grain with other layer leads to the surface flatness improvement. The optical energies of n-TiO2/ZnO bilayer and p-Cu2O thin film are estimated as 3.15 and 1.75 eV, respectively. The structural, morphological, optical, and topological properties of thin films were characterized using X-ray diffraction, Field emission-scanning electron microscope, Ultraviolet–visible spectroscopy, and Atomic force microscopy, respectively.

Carbon fibre reinforced polymer composites (CFRP) is one of the common materials used in machining by various manufacturing industries. The most persistent challenges during the machining, both concerning the consistency of machined surfaces and the properties of the material, are the difficulties such as fibre pull-out, delamination, and decomposition of the material matrix. This preliminary research highlights the laser machining of thick CFRP using a fibre laser of more than 1 kW. Laser machining experiments have been conducted to examine the ability of the fibre laser machine to cut thick CFRP through their high-quality laser beams. Based on the results, the study showed how the heat affected zone can be reduced when the higher cooling period is used. The effects of modulated beam mode include substantial reductions in HAZ compared with other experimental results. In all experimental attempts, substantial damage has occurred. The results are important in assessing the relationship between laser machining parameters and cutting results.

Photoelectrochemical (PEC) water splitting is a green and sustainable approach capable of driving mass hydrogen production in the future. To realize this vision, development of a well-performing photoelectrode is highly demanded. In this comprehensive study, electrodeposition technique was applied for fabricating BiVO4 films by regulating the deposition time from 1 min until 9 min. Interestingly, the morphology, crystallinity, chemical structure, and optical properties of BiVO4 films depend strongly on the deposition time. It is found that BiVO4 layer deposited for 7 min with a cross-section thickness of around 321.1–326.5 nm showed the optimum performance, whereby the photocurrent reached up to ~0.32 mA/cm−2 at 1.23 V vs. RHE. The deposited BiVO4 represents tiny and long petals, similar to “needle” nanostructures, which is embedded closely into compact agglomerates. Such morphology enables the BiVO4 films to perform efficiently as photoanode in PEC cells. Besides, high crystallinity is detected from the sharp peaks of XRD and Raman analysis, as well as good light absorption capability that are the main contributors to the enhancement of PEC performance. In addition to the facile fabrication offered by electrodeposition method, the non-toxic attributes and the impressive PEC performance of the optimum BiVO4 layer could serve as an interesting option for other applications such as gas sensors, solar cells, degradation of pollutants and photocatalytic water splitting.

Underground protective structures are usually made of reinforced concrete at a certain depth below the surface that is covered with soil. Materials, layering and geometry of the composite backfill play important roles in damping the stresses caused by surface blasts. The current study used 3D modelling to investigate the characteristics of the composite backfill subjected to surface blast load. The results indicated that the application of geofoam as a geosynthetic isolator layer increased the percentage of pressure decay (PD) up to 61%. Comparison of the different materials used for pressure mitigation revealed that a 0.75 m thick layer of geofoam performed similarly to a 1.1 m thick layer of unreinforced concrete, a 0.75 m thick layer of reinforced concrete with a steel equivalent height of 0.06 m and a 0.37 m thick steel layer. The combined use of reinforced concrete and geofoam considerably increased the PD.

The production of hydrogen (H2) from the pyrolysis–catalytic steam reforming of polyethylene, polystyrene (PS) and polyethylene terephthalate waste plastics was investigated using a two-stage reactor. The highest yield of hydrogen (125 mmol/gplastic) was obtained with PS at a catalyst temperature of 900°C and steam input weight hourly space velocity of 7.59 g/(h/gcatalyst) with a 10 wt% nickel/aluminium oxide (Ni/Al2O3) catalyst. Further investigation using PS showed that the process parameters of high catalyst temperature (900°C) and optimised steam input rate significantly increased the yield of hydrogen. Examination of several different catalysts (nickel/aluminium oxide, iron/aluminium oxide, copper/aluminium oxide, cobalt/aluminium oxide) showed that nickel/aluminium oxide had by far the highest catalytic activity and selectivity towards the yield of hydrogen.

Sepiolite (Si12Mg8O30(OH,F)4].(H2O)4·8H2O) is a valuable filler with an enormous capacity to be used in thermoplastic composites, substituting costly reinforcing fillers, such as graphene and CNTs. Sepiolite strengthened polymers nanocomposite materials have encouraged the field of research and ventures because of their strengthening ability and bio-compatibility in polymer composites. Sepiolite shows remarkable characteristics over various fillers due to its higher specific surface area and channel type structure. Numerous investigations were performed to decide different properties of Sepiolite strengthened polymer composites in various applications, for example, tensile strength, flexural strength, impact strength, stiffness, thermal, flammability, thermo-mechanical, and morphological. This review paper focuses on the mechanical and thermal properties of sepiolite strengthened polymer nanocomposites. Generally, it can be determined that the properties of sepiolite loaded thermoplastic polymer composites mainly depend on filler content, matrix, bond interaction, shape, size of sepiolite particles. Further assessment and development are required to expand its utilization in several applications. These comprise the utilization of nano-size sepiolite made synthetically as functionalized filler in thermoplastics.

The development of active packaging for food applications have been increasingly favorable in publicity, industry, and research field, by attributing to the bio-safety in nature and promising antimicrobial property in preserving food product. In this study, polybutylene succinate (PBS) was used as the main polymeric material for preparing active film and incorporated with different active agents, i.e. thymol, kesum, and curry via solvent casting method. The produced active films were characterized through advanced analysis techniques. From morphology examination, kesum filled PBS film showed well-integrated film structure, whereas the thymol and curry filled PBS films presented poor adhesion features comparing to pure PBS film. Also, the functional chemistry analysis revealed the presence of functional groups from active substances, indicating the successful incorporation of active agent in PBS film. Furthermore, the thermal analysis proved the thymol filled PBS film was with the greatest heat resistance due to its solidity structure. In terms of crystallinity, the kesum filled PBS film exhibited the highest crystallinity among the film samples, by associating to its great nucleating effect. Additionally, the films containing 10% kesum and thymol respectively showed zone of inhibition against S. aureus. However, the films tested on chicken fillet samples showed insignificant inhibitory effect on foodborne microbes. Nonetheless, the quality of chicken fillet covered with active PBS films had been improved with color attributes at 15% loading of active agent. Therefore, the active films produced in this work have potential to be utilized in the future for food packaging application.

Extensive application of metal powder, particularly in nanosize could potentially lead to catastrophic dust explosion, due to their pyrophoric behavior, ignition sensitivity, and explosivity. To assess the appropriate measures preventing accidental metal dust explosions, it is vital to understand the physicochemical properties of the metal dust and their kinetic mechanism. In this work, explosion severity of aluminum and silver powder, which can be encountered in a passivated emitter and rear contact (PERC) solar cell, was explored in a 0.0012 m3 cylindrical vessel, by varying the particle size and powder concentration. The Pmax and dP/dtmax values of metal powder were demonstrated to increase with decreasing particle size. Additionally, it was found that the explosion severity of silver powder was lower than that of aluminum powder due to the more apparent agglomeration effect of silver particles. The reduction on the specific surface area attributed to the particles' agglomeration affects the oxidation reaction of the metal powder, as illustrated in the thermogravimetric (TG) curves. A sluggish oxidation reaction was demonstrated in the TG curve of silver powder, which is contradicted with aluminum powder. From the X-ray photoelectron spectroscopy (XPS) analysis, it is inferred that silver powder exhibited two reactions in which the dominant reaction produced Ag and the other reaction formed Ag2O. Meanwhile, for aluminum powder, explosion products only comprise Al2O3.

The performance of natural rubber (NR) relies heavily on the microstructural changes during deformation. This has brought to significant change in the stress response of NR. Besides, the stretching rate may also affect the stress response of NR. In this study, effects of stretching rate on tensile deformation and strain-induced crystallization of crosslinked NR were investigated. Results indicated that increasing the strain rate has increased the stress at given strain where the onset of strain-induced crystallization was shifted to a lower strain. The crystallinity of the crosslinked NR was shown to be higher at a high stretching rate and it corresponded well with the tensile response. The results clearly confirm that chain orientation and crystallization became stronger with increasing deformation rate. The study also suggests that the deformation could improve distribution of crosslinked network structures.

In this work, the film contained a mixture of PMMA, salt, and plasticizers are studied. PMMA as a host polymer, ammonium trifluoromethane sulphonate or ammonium triflate (NH4CF3SO3) as a doping salt and ethylene carbonate (EC) as a plasticizer is used in this present study. PMMA salt complexes system and plasticized PMMA salt complexes system are prepared by solution cast technique at room temperature. FTIR is used to study the interaction between polymer and salt, and between polymer–salt and plasticizer. The carbonyl group C=O asymmetric stretching mode observed at 1721 cm-1 is broadened and shifted to lower wavenumber when ammonium triflate was added into PMMA. The broadening, shifting and reduction in wavenumbers of FTIR spectra show that the complexation has occurred between the polymer and salt. EIS is performed to measure the electrical conductivity of the polymer–salt system prepared at ambient temperature. The electrical conductivity of film containing 1.0 g of PMMA–35 wt% NH4CF3SO3–16 wt% EC exhibit the highest electrical conductivity with the value of 2.461 x 10-4 S/cm2. XRD is carried out to study the pattern of pure PMMA, PMMA–NH4CF3SO3 and PMMA–NH4CF3SO3–EC. The XRD analysis shows the addition of plasticizer to the polymer–salt system increase the amorphousness of the polymer electrolytes hence increases in conductivity.

This study focuses on preparation and characterization of polymer gel electrolytes (PGEs) based on agarose–LiBOB–DMSO and poly(1-vinylpyrrolidone-co-vinyl acetate)–LiBOB–DMSO. Two systems of PGEs were prepared by dissolving a different amount (1-8 wt.%) of agarose and (1-8 wt.%) P(VP-co-VAc) as host polymer in 0.8 M of LiBOB–DMSO solution. The addition of host polymer into 0.8 M of LiBOB–DMSO solution will result an optimum conductivity which is 6.91 x 10-3 S.cm-1 for agarose–LiBOB–DMSO system and 7.83 x 10-3 S.cm-1 for P(VP-co-VAc)–LiBOB–DMSO system. In the temperature range of conductivity studies discovered that the agarose–LiBOB–DMSO and P(VP-co-VAc)–LiBOB–DMSO polymer gel electrolytes abide by Arrhenius rule indicating that this PGEs could run at elevated temperature conditions. Furthermore, lithium transference number confirms that both electrolyte systems have 0.03 and 0.12 respectively at room temperature (298 K). Linear sweep voltammetry (LSV) measurements demonstrate the agarose–LiBOB–DMSO system has a potential of 4.26 V and P(VP-co-VAc)–LiBOB–DMSO system has a potential of 4.50 V which is good in electrochemical stability.

This study reports on the First Principle Study via Density Functional Theory (DFT) used to determine the structural and electronic properties of Ag-dopant in Ba-site of YBa2-xAgxCu3Oδ superconductor. The computational method adopting CASTEP computational code was used to calculate the structural and electronic properties for Ag-dopant in range of x=0.150 to x=0.250 in Ba-site of YBa2-xAgxCu3Oδ to enhance the performance finding of experimental work shown at dopant x=0.20 ceramic superconductor. The structural changes in terms of lattice parameters were compared as the percentage of dopant increases to seek both CuO chain and CuO2 plane bond length and the spontaneous strain variance on the structure orthorhombicity. The crystal structure constructed and calculated using Visual Crystal Approximation (VCA) applying the local density approximation (LDA) and ultrasoft pseuodopotential. Geometry optimization shown energy converged at 400 eV with k-point sampling of 4x4x1. The structural properties of YBa2-xAgxCu3Oδ are observed to be approximately close to the experimental data obtained by other researches. The electronic properties were determined via energy band gap, density of states and electron energy differences visualisation a to further enhance the experimental findings.

Lattice strain effects drive a variety of novel functional responses in epitaxial BiFeO3 thin films and have attracted significant interest and attention from researchers in experimental and theoretical studies. However, the difficulty in designing experimental techniques in addition to facing problems in the first principles approach, such as output accuracy and high computational costs, constitute the discovery of new functional responses in epitaxial BiFeO3 thin films not entirely understood. Therefore, in this study, we perform a first principles calculation based on the less expensive LDA+U method to investigate the structural phase instability and electronic properties change in BiFeO3 under the lattice strain effect. The structural phase transformation of BiFeO3 under volumetric and compressive/tensile lattice strain was examined established on the calculated lower energy phases. Importantly, we demonstrated that the change of crystal structure phases of BiFeO3 was extremely sensitive to the volumetric and compressive/tensile lattice strain, comparable with various experiment data, as reported in the literature. Moreover, we revealed for the first time from the first principles prediction the coexistence of mixed R-T phases in the region of moderate compressive ζin-plane of −2.9% (e.g. LaAlO3 substrates with ɑ = 3.79 A). From the prediction of electronic properties obtained by the LDA+U and PBE0 methods, we found that the energy band gap increased when the compressive in-plane lattice strain is increased while, in contrast, the energy band gap decreased when BiFeO3 was under the tensile in-plane lattice strain effect. We also demonstrate that our computational technique based on the first principles study was sufficiently accurate enough, helping to speed up the process of designing new materials having an excellent multifunctional response (piezoelectric, magnetic, photovoltaic, spintronic).