Short-circuit Research Articles

Bio-Inspired Core-Shell Structured Electrode Particles with Protective Mechanisms for Lithium-Ion Batteries.

Lithium-ion batteries (LIBs), as predominant energy storage devices, are applied to electric vehicles, which is an effective way to achieve carbon neutrality. However, the major obstructions to their applications are two dilemmas: enhanced cyclic life and thermal stability. Taking advantage of bio-inspired core-shell structures to optimize the self-protective mechanisms of the mercantile electrode particles, LIBs can improve electrochemical performance and thermal stability simultaneously. The favorable core-shell structures suppress volume expansion to stabilize electrode-electrolyte interfaces (EEIs), mitigate direct contact between the electrode material and electrolyte, and promote electrical connectivity. They possess wide operating temperatures, high-voltage resistance, and inhibit short circuits. During cycling, the cathode and anode generate a cathode-electrolyte interface (CEI) and a solid-electrolyte interface (SEI), respectively. Applying multitudinous coating approaches can generate multifarious bio-inspired core-shell structured electrode particles, which is helpful for the generation of the EEIs, self-healing the surface cracks, and maintaining the structural integrities of electrodes. The protected shells act as barriers to minimize unwanted side reactions and enhance thermal stability. These in-depth understandings of the bio-inspired evolution for electrode particles can inspire further enhancements in LIB lifetime and thermal safety, especially for bio-inspired core-shell structured electrodes possessing high-performance protective mechanisms.

Computational analysis of a Cu3VS4-based solar cell with a V2O5 back surface layer

This study has described the development and computational evaluation of Cu3VS4 (CVS) based highly potential thin film solar cell where ZnS is exploited as the transparent layer and V2O5 as the back surface field (BSF) layer, respectively, to form the n-ZnS/p-Cu3VS4/p + -V2O5 hetero-junction. The investigation has highlighted the significant influence of the V2O5 BSF layer on the device performance. The standalone n-ZnS/p-Cu3VS4 device exhibits an open circuit voltage (VOC) of 0.87 V, a short circuit current (JSC) of 33.89 mA/cm2, a fill factor (FF) of 86.72%, and a power conversion efficiency (PCE) of 25.68%. The incorporation of the V2O5 BSF layer has enhanced the PCE to 28.33%, where VOC reached 0.94 V, JSC to 34.39 mA/cm2, and FF to 87.47%. This improvement in VOC has been attributed to the V2O5 BSF layer, leading to increased built-in potential and reduced surface recombination velocity at device interfaces. These findings suggest promising prospects for advancing high-efficiency CVS dual-heterojunction (DH) PV cells in the coming days.

Exploring Sb2S3 as a hole transport layer for GeSe based solar cell: A numerical simulation

Abstract Germanium selenide (GeSe) and antimony sulfide (Sb2S3) both are technological intriguing semiconductor material for green and economical photovoltaic devices. In this study, GeSe and Sb2S3 have been utilized as the absorber layer and hole transport layer, respectively, to constructed a heterojunction thin film solar cell consisting of FTO/TiO2/GeSe/Sb2S3/Metal. The GeSe and Sb2S3 are binary compounds and can adopt the same film deposition method, for instance, thermal evaporation, which is expected to improve process compatibility and to reduce production costs. The TiO2 (electron transport layer) and Sb2S3 can form small spike-like conduction band offset and valence band offset with the GeSe, respectively, which possesses potential to suppress carrier recombination at the heterointerfaces. Subsequently, the effects of main functional layer material parameters, heterointerface characteristics and back contact metal work function on the performance parameters of the proposed solar cell were simulated and analyzed using wxAMPS software. After numerical simulation and optimization, the proposed solar cell can reach an open circuit voltage of 0.872 V, a short circuit current of 40.72 mA·cm-2, a filling factor of 84.16%, and a conversion efficiency of 28.35%. According to the simulation results, it is anticipated that the Sb2S3 can serve as a hole transport layer for GeSe based solar cell and enable device to achieve high efficiency. Simulation analysis also provides some meaningful references for the design and preparation of heterojunction thin film solar cells.

Photovoltaic Efficiency Enhancement of Indium-Free Wide-Bandgap Chalcopyrite Solar Cells via an Aluminum-Induced Back-Surface Field Effect.

Wide-bandgap chalcopyrite materials are attractive candidates for a wide variety of energy conversion devices such as the top cell of tandem-type photovoltaic devices and photoelectrochemical water splitting hydrogen evolution devices. Nevertheless, simultaneous realization of high open circuit voltage (VOC) and high fill factor (FF) values has been challenging, and thus, the photovoltaic performance has been limited. In this article, high VOC and high FF values of wide-gap chalcopyrite CuGaSe2 thin-film solar cells are simultaneously demonstrated using an aluminum-induced back-surface field effect. An independently certified photovoltaic efficiency of 12.25% was obtained from an elemental In-free CuGaSe2:Al (bandgap energy ∼1.7 eV) solar cell (VOC: 0.959 V, short circuit current density: 17.64 mA cm-2, FF: 72.5%). In addition, an over 1 V-VOC CuGaSe2 cell (FF: 74.5%) was obtained even with the use of a conventional CdS buffer layer. Although incorporation of aluminum often leads to degradation of the chalcopyrite solar cell performance, the addition of a small amount of aluminum is found to be effective in enhancing wide-gap chalcopyrite photovoltaic performance.

Modified and Improved TID Controller for Automatic Voltage Regulator Systems

This paper proposes a fractional order integral-derivative plus second-order derivative with low-pass filters and a tilt controller called IλDND2N2-T to improve the control performance of an automatic voltage regulator (AVR). In this study, equilibrium optimisation (EO), multiverse optimisation (MVO), and particle swarm optimisation (PSO) algorithms are used to optimise the parameters of the proposed controller and statistical tests are performed with the data obtained from the application of these three algorithms to the AVR problem. Afterwards, the performance of the IλDND2N2-T controller is demonstrated by comparing the transient responses with the results obtained in recently published papers. In addition, extra disturbances such as frequency deviation, load variation, and short circuit faults in the generator are applied to the AVR system. The proposed controller has outperformed the compared controller against these disturbances. Finally, a robustness test is performed in terms of deterioration in the system parameters. The results show that the IλDND2N2-T controller outperforms the compared controllers under all conditions and exhibits a robust effect on the perturbed system parameters.

Optimization Strategies of Hybrid Lithium Titanate Oxide/Carbon Anodes for Lithium-Ion Batteries

Lithium-ion batteries, due to their high energy density, compact size, long lifetime, and low environmental impact, have achieved a dominant position in everyday life. These attributes have made them the preferred choice for powering portable devices such as laptops and smartphones, power tools, and electric vehicles. As technology advances rapidly, the demand for even more efficient energy storage devices continues to rise. In lithium-ion batteries, anodes play a crucial role, with lithium titanate oxide standing out as a highly promising material. This anode is favored for its exceptional cycle stability, safety features, and fast charging capabilities. The impressive cycle stability of lithium titanate oxide is largely due to its zero-strain nature, meaning it undergoes minimal volume changes during lithium-ion insertion and extraction. This stability enhances the anode’s durability, leading to longer battery life. In addition, the lithium titanate oxide anode operates at a voltage of approximately 1.55 V vs. Li+/Li, significantly reducing the risk of dendrite formation, a major safety concern that can cause short circuits and fires. The material’s spinel structure, with its large active surface area, further allows fast electron transfer and ion diffusion, facilitating fast charging. This review explores the characteristics of lithium titanate oxide, the various synthesis methods employed, and its integration with carbon materials to enhance cycle stability, coulombic efficiency, and safety. It also proposes strategies for optimizing lithium titanate oxide properties to create sustainable anodes with reduced environmental impact using eco-friendly routes.

Non-fused Nonfullerene Acceptors with an Asymmetric Benzo[1,2-b:3,4-b', 6,5-b"]trithiophene (BTT) Donor Core and Different AcceptorTerminal Units for Organic Solar Cells.

Here in, we have designed two new unfused non-fullerene small molecules using asymmetric benzo[1,2-b:3.4-b', 6,5-b"]trithiophene (BTT) as the central donor core and different terminal units i. e., 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (NFA-4) and 1,3-diethyl-2-thioxodi hydropyrimidine-4,6 (1H,5H)-dione (NFA-5) and examined their optical and electrochemical properties. Using a wide band-gap copolymer D18, organic solar cells (OSCs) based on bulk heterojunction of D18:NFA-4 and D18:NFA-5 showed overall power conversion efficiency (PCE) of about 17.07 % and 11.27 %, respectively. The increased PCE for the NFA-4-based OSC, compared to NFA-5 counterpart, is due higher value of short circuit current (JSC), open circuit voltage (VOC), and fill factor (FF). Following the addition of small amount of NFA-5 to the binary bulk heterojunction D18:NFA-4, the ternary organic solar cells attained a PCE of 18.05 %, surpassing that of the binary counterparts due to the higher values of which is higher than that for the binary counterparts and attributed to the increased values of JSC, FF, and VOC. The higher value of JSC is linked to the efficient use to excitons transferred from NFA-5 to NFA-4 with a greated dipole moment than NFA-5 and subsequently dissociated into a free charge carrier efficiently.

Fully Solution‐Processed Polymeric Multilayer Piezoelectric Devices

AbstractThis study demonstrates fully solution‐processed polymeric multilayer piezoelectric devices. The key challenge, the effective control of the redissolution issue that will cause severe electrical shorting and inconsistent piezoelectric output, is overcome by searching for and using a solvent that offers adequate solubility but extremely slow dissolution for the piezoelectric polymer. The solvent screening methodology is established and demonstrated. The process parameters is systematically optimized to maximize the piezoelectric performance of the multilayer devices. The multilayer devices can output a high charge density of 376 µC m−2, even higher than the record charge density of 250 µC m−2 achieved by traditional contact electrification‐based triboelectric nanogenerators operated in ambient air. The crucial factors for increasing device fabrication yield, namely resistance to short circuits and poling‐induced breakdown, are analyzed. The potential of multilayer devices in practical applications is demonstrated using a five‐layer device as a direct power source and energy harvester. More importantly, the process developed here is transferrable for cost‐effective high‐throughput roll‐to‐roll production. This work thus lays the foundation for the mass production of polymeric multilayer piezoelectric devices and paves the way for their future commercialization.

Research Progress on the Safety of LIBs Separators

Over the years, the electrification of transport has forced improvements in energy storage batteries. Lithium-ion batteries (LIBs) are widely used in aerospace, smart devices, electronic communications, and transport because of their high capacity, good cyclability, and environmental friendliness. However, battery safety is a massive issue in people's daily lives. LIBs occasionally suffer from spontaneous combustion and explosion. This is mainly caused by short circuits within the battery. The diaphragm, as the material separating the positive and negative electrodes, prevents the positive and negative electrodes from coming into direct contact, thus avoiding short circuits. The performance of the diaphragm determines the safety of LIBs. Therefore, this paper first introduces the causes of the thermal runaway of lithium-ion batteries and its relationship with diaphragms. Then, this paper presents the essential characteristics and types of high-safety diaphragms. Finally, this paper also summarises the physical and chemical modification methods of diaphragm materials in LIBs. This will help improve the safety of lithium-ion batteries, increase the electrification of transportation, and eliminate concerns about using LIBs.

Sn Penetrated Zincophilic Interface Design in Porous Zn Substrate for High Performance Zn-Ion Battery.

Rechargeable zinc-ion batteries are considered an ideal energy storage system due to their low cost and nonflammable aqueous electrolyte. However, dendrite growth, hydrogen evolution reaction, and self-corrosion of zinc anode brought about serious safety risks including short circuits and electrode expansion. Therefore, a modified host-design strategy with a 3D porous structure and bulk-phase penetrated zincophilic interface is proposed to boost the stability and lifetime of the Zn anode. The porous Zn substrate is constructed by universal HCl etching and the uniform and tight Sn-penetrated zincophilic interface is formed by effective electron beam evaporation (EBE). The porous substrate can uniform zinc ion flux and the Sn coating could effectively improve zinc ion deposition behavior, thus inhibiting the risk of dendrites growth and side reaction. As a result, the 3D Zn substrate with Sn interface (3D Zn@Sn) exhibits prolonged galvanostatic cycling performance up to 4500h with a low polarization of ≈25mV (1mAcm-2, 1mAhcm-2) in the symmetric cell. The full cell assembled with KVOH@Ti could maintain a high specific capacity of 148.6mAhg-1 after 500 galvanostatic cycles (10Ag-1). This work proposed an improved electrode design to realize the high performance of zinc ion batteries.

Application of nanotechnology in the negative electrode of Si-based lithium-ion batteries

Modern electronics and electric cars frequently employ lithium-ion batteries (LIBs) because of their excellent energy density, safety, and environmental friendliness. The anode of LIBs is typically composed of carbon. Nevertheless, it loses a lot of energy when charging and draining. Lithium metal precipitates quickly from the surface of carbon electrodes and forms dendrites. These can pass through the diaphragm and cause short circuits inside the battery, posing a public safety risk. The advantages of the silicon-based anode are excellent safety, low operating voltage, and high theoretical specific capacity. It is among the most critical potential materials for high-energy-density lithium-ion batteries. However, its drawbacks, such as volume expansion and poor electrical conductivity, limit the development of LIBs. In recent years, the emergence of nanotechnology has well solved these problems. This paper first explains how silicon-based lithium-ion batteries work and summarizes the challenges of silicon-based anodes. Then, it explores the application of nanotechnology in silicon-based anode, including different dimensions of silicon nanomaterials. After the group, the paper analyzes the shortcomings of current research and proposes future directions.

Production of cost-effective green energy using Mn/Gd co-substituted cobalt ferrites hydroelectric cells and their oxygen evolution reaction

A thorough investigation into hydroelectric cells (HECs) composed of spinel ferrites, aiming to generate environmentally friendly electricity through the dissociation of water molecules into H3O+ and OH- ions without producing any harmful by-products has been reported. Utilizing a modified sol-gel auto-combustion synthesis method, we synthesized highly porous Mn2+/Gd3+ co-substituted cobalt ferrites (CFO) with the formula) [Co1-xMnxFe2-yGdyO4, 0≤x≤0.30 and y = 0.10]. X-ray diffraction (XRD) analysis revealed a singular-phase cubic structure, while Rietveld refinement provided essential parameters such as crystallite size, lattice constant, density, porosity percentage, and unit-cell volume. Morphological examination using Field emission scanning electron microscopy (FESEM) confirmed nanoparticle formation with an average size of 60.418 nm, and porosity increasing from 30 % to 51 % with Mn2+ ion doping, indicating enhanced water adsorption. XPS analysis highlighted increased lattice defects due to Mn/Gd co-substitution, boosting water adsorption capacity. Vibrating Sample Measurements showed a rise in Ms value with increasing Mn2+ concentration. Fabricated HECs delivered a maximum output current density of 13.906 mA/cm2, with 20 % Mn-substituted gadolinium cobalt ferrites-based HEC achieved a peak short-circuit current of 9.16 mA. These cells exhibited pseudo-capacitive behaviour, characterized by rapid and reversible faradaic reactions near electrode surfaces, while ionic diffusion mechanisms confirmed ion diffusion over the material's surface. Co1-xMnxGd0.1Fe1.9O4 (x = 0.20) is the optimal composition to get best OER performance having an overpotential of 342 mV at 10 mA/cm2 with a Tafel slope of 48 mV/dec in alkaline medium. This study underscores the potential of Mn2+/Gd3+ co-substituted cobalt ferrite as a promising alternative in green energy conversion applications, potentially replacing conventional fuel and solar cells. It has been concluded that the x = 0.20 is the composition that exhibits the best OER as well as HEC performance.

Quantification of Lithium Battery Fires in Internal Short Circuit

Quantification of Lithium Battery Fires in Internal Short Circuit

Simulation of a Silicon Solar Cell Using Triple-Layer Anti-Reflection Coatings (ARC)

Considering solar energy is being used more and more frequently in recent years, numerous studies have been conducted in order to improve the performance of the solar cell. The application of anti-reflective coating (ARC) in the solar cell is one of the most effective techniques. It has been said that although single and double ARC layers are adequate, applying triple ARC layers would render them significantly more effective across a broad spectrum. Henceforth, in this study, different materials were recently designed to produce triple layers of ARC, which are SiO2/Si3N4/TiO2, SiO2/ZnO/TiO2, ZnO/Si3N4/TiO2, SiO2/Si3N4/ZnS, and SiO2/ZnO/ZnS, which are then applied in silicon solar cells using PC1D simulation software. The outcomes of the simulation included the analysis of the I-V curve, efficiency (ŋ), and reflection, in addition to the results for short circuit current (Isc), maximum power output (Pmax), open circuit voltage (Voc), and fill factor (FF), which have been compared to numerous other theoretical findings from other investigations and research projects. By that, the simulation revealed that SiO2/ZnO/TiO2 is the most suitable triple-layer ARC to be applied to a silicon solar cell, which exhibits the highest efficiency of 22.63% with an Isc of 3.967A, Pmax of 2.489W, a Voc of 0.7389V, and a fill factor of 84.91 at a wavelength of 400 nm.

A microstrip bandpass filter using coupled lines loaded by open stubs

A compact simple structure bandpass filter based on terminated three coupled line structures with high selectivity is introduced through odd and even-mode analysis. The proposed filter consists of three coupled lines loaded by open and short circuit stubs. The parallel-coupled lines structure is used to obtain high selectivity with transmission zeros near the passband. Meanwhile, simultaneously tuning on bandwidth and center frequency are introduced by coupled line. One type of bandpass filter based on terminated coupled line structure is theoretically analyzed, simulated, and measured. The stepped impedance structures at the input and output ports have been used to improve the attenuation level at the stopband region and create the multiple attenuation poles. The center frequency of 1.3 GHz, the fractional bandwidth (FBW) of about 65%, the low insertion loss of 0.25 dB, and the high return loss of 30 dB are obtained. Also, a flat group delay lower than 1.4 ns is achieved. Experimental and simulated results are presented, which are in good agreement.

Reducing low-frequency noise radiation from a concrete box girder bridge using acoustic short circuits

Low-frequency noise (20–200 Hz) radiated from concrete box girder bridges on urban viaduct railway lines is a significant source of disturbance to nearby residents. Many researchers have investigated methods which can be used to effectively reduce this bridge noise. Currently, most of the methods are based on the principles of vibration isolation and/or absorption. This paper, after modelling and analysing the contributions of various parts of a concrete box girder bridge to the total noise radiated from the bridge, presents a study on the potential in bridge noise control of making holes to create acoustic short circuits on the bridge wings. It is found that by this means the bridge noise can be reduced by up to 6.8 dB at standard-specified measurement points. Additionally, a 3dB-effectiveness distance ratio design method for acoustic short-circuiting is proposed, which effectively reduces bridge noise and achieves stable noise reduction outcomes.

Harnessing the mechanical and magnetic energy with PMN-PT/Ni-Mn-In-based flexible piezoelectric nanogenerator

Multifunctional piezoelectric nanogenerators (PENG) hold significant potential in developing smart sensing technologies for the military, healthcare, and industrial sectors. Here, we present the efficient energy harvesting from mechanical and magnetic stimuli in 0.67Pb (Mg1/3Nb2/3)O3-0.33PbTiO3 (PMN-PT) / Ni50Mn35In15 (Ni-Mn-In)-based PENG fabricated on a flexible nickel substrate using the DC/RF magnetron sputtering technique. The performance of the device has been assessed by imparting forces in the range of 0.12–0.61 N using various weights, finger tapping, bending, and magnetic fields. The device generates the maximum open circuit voltage (Voc) of 9.3 V and 6 V with 0.61 N of force and finger tapping, respectively. The corresponding short circuit current (Isc) has been obtained as 1.33 µA (0.61 N) and 0.9 µA (finger tapping). The device shows a maximum Voc of 10.6 V and Isc of 1.51 µA at the bending angle of 120°. Furthermore, the Voc and Isc have increased from 0 mV and 0 nA to 240 mV and 35 nA under the presence of 0 Oe to 500 Oe of DC magnetic field, respectively. The fabricated device exhibited a power density of 2.7 µW/cm2 with a high mechanical stability of 2500 cycles. Additionally, LEDs of green, red, yellow, and white color have been illuminated. The receptiveness of the fabricated PENG towards mechanical and magnetic stimuli highlights its potential in areas such as tactile sensing, wearable electronics, human-machine interfaces, and biomedical devices.

Experimental and theoretical study of 90Sr/90Y-n-Si/ZnO betavoltaic battery and theoretical prediction of homojunction betavoltaic cells performance

Today, betavoltaic batteries has been considered due to their high energy density and long life for operating electrical systems in inaccessible and hostile environments. Conventional electrochemical batteries, despite their widespread use in electronic devices, have a limited lifetime and tend to degrade in extreme environmental conditions. The current paper pursues three goals. The first goal is to the experimental and theoretical investigation of a n-Si/ZnO heterojunction betavoltaic battery based on 90Sr/90Y source. The second goal is to optimize ZnO, SnO2, BN, and diamond homojunction betavoltaic cells in two planar and cubical models by Monte Carlo simulation (MCNP code). The third goal is to present a new approach for estimating the standard error in calculating the parameters of betavoltaic batteries. In order to fabrication of a n-Si/ZnO heterojunction, the ZnO nanospheres were placed on the n-Si (100) substrate using chemical bath deposition (CBD) technology. The Al and Au electrodes were deposited on the formed sample. Then this sample was exposed to the radiation of an external 90Sr/90Y source with an activity of 12.8 mCi. The experimental values obtained for the short circuit current (Isc), open circuit voltage (Voc), efficiency (η), and maximum output power (Pmax) were 0.047 μA, 0.015 V, 3.4 × 10−4 percent, and 0.141 nW, respectively. To compare with the experiment, we investigated the n-Si/ZnO betavoltaic cell by MCNP code. In the simulation, the beta spectrum of the 90Sr/90Y source was considered. The calculated theoretical values for Isc, Voc, η, and Pmax were 0.063 μA, 0.020 V, 6.4 × 10−4 percent, and 0.265 nW, respectively. The experimental results show that the simulation results can be valid. In the optimization of ZnO, SnO2, BN, and diamond homojunction betavoltaic cells in two planar and cubical models by MCNP code, it was found that the Isc, Voc, η, and Pmax of the cubical model are better compared to the planar model. In the cubical model, Pmax of ZnO, SnO2, BN, and diamond betavoltaic batteries is 2633.34 nW ± 0.16 %, 1670.49 nW ± 0.15 %, 198.20 nW ± 0.17 %, and 1315.24 nW ± 0.15 %, respectively. In other words, Pmax of the ZnO betavoltaic battery is about 58 %, 1229 %, and 100 % more than Pmax of SnO2, BN, and diamond betavoltaic batteries, respectively. Pmax of the SnO2 betavoltaic battery is about 743 % and 27 % more than Pmax of BN and diamond betavoltaic batteries, respectively. The results show that ZnO and SnO2 betavoltaic batteries can perform better compared to BN and diamond betavoltaic batteries. Also, their growth process is less expensive compared to BN and diamond.

Test Methodology for Short-Circuit Assessment and Safe Operation Identification for Power SiC MOSFETs

The short-circuit (SC) immunity of power silicon carbide (SiC) MOSFETs is critical for high-reliability applications, where robust monitoring and protection strategies are essential to ensure system safety. Despite their superior voltage blocking capabilities and high energy efficiency, SiC MOSFETs exhibit greater sensitivity to SC-induced degradation compared to their silicon counterparts. This increased vulnerability necessitates the precise assessment of the key SC performance metrics, such as short-circuit withstand time (TSCWT), as well as a deeper understanding of the failure mechanisms. In this study, a comprehensive experimental methodology for evaluating the SC behavior of SiC MOSFETs is presented and validated using industrial references. The investigation further explores the concept of a Safe Operating Area (SOA) under SC conditions, highlighting the significant impact of quasi-simultaneous SC events on device lifetime. Additionally, an application case study demonstrates how these events can drastically reduce the device’s lifespan.

Investigation of the impact of internal acceptor and π-linker in 2, 5-di(2-thienyl)pyrrole based organic dye photosensitizer for DSSCs

The effect of π-linkers and internal acceptor group on the optoelectronic characteristics of D-π-A and D-A′-π-A dyes for dye-sensitized solar cells (DSSC) were examined. The DFT was used for estimating geometries and charge transport parameters, and the TD-DFT for calculating electronic excitations of these dyes. HOMO, LUMO, and HOMO-LUMO energy gap were also calculated for appreciating the suitable electron transfer, dye regeneration, and charge injection. For achieving the improved performance of dyes in DSSC, injection driving force (ΔGinj), short circuit current (JSC), the open circuit voltage (VOC), light harvesting efficiency (LHE), dye regeneration energy (ΔGreg), and Power conversion efficiency were also determined. For suitable Power conversion efficiency of the DSSCs, electron affinity (EA), hole and electron extraction potential, Ionization potential (IP), Total density of states, and Electrostatic potential (ESP) were also calculated. The result shows that the internal acceptor and π-linkers affect the photovoltaic parameters and a small variations in the dye architecture increase the efficiency of DSSCs. The dyes containing diphenyl π-linkers showed maximum power conversion efficiency for solar cell.