Solar Devices Research Articles

Impact of Temperature on the Efficiency of Monocrystalline and Polycrystalline Photovoltaic Panels: A Comprehensive Experimental Analysis for Sustainable Energy Solutions

The negative effect of the operating temperature on the functioning of photovoltaic panels has become a significant issue in the actual energetic context and has been studied intensively during the last decade. The very high operating temperatures of the photovoltaic panels, even for lower levels of solar radiation, determine a drop in the open-circuit voltage, with consequences over the electrical power generated and PV-conversion efficiency. The temperature effect over the efficiency of monocrystalline and polycrystalline photovoltaic panels by using a double-climatic chamber and a solar simulation device was studied experimentally for two photovoltaic panels, one monocrystalline and another polycrystalline, with the same nominal power of 30 Wp. The double-climatic chamber used is composed of two separate rooms, a cold and a hot one, while the PV panel is placed as a barrier between them. The study is focused on establishing the effect of raising the temperature of PV panels over electrical parameters: voltage, current, and power produced and for efficiency and fill factor to promote sustainable energy consumption. The findings highlight the positive impact of cooling on enhancing system efficiency, with the primary focus on quantifying its overall performance. The operating temperature is controlled by the flow of air on the backside of the PV panel inside the cold room. The level of radiation studied corresponds to a vertical integration of PV panels in building façades. The coefficient of the mean variation of the efficiency with the photovoltaic panels’ temperature was −0.52%/°C; for voltage, −0.48%/°C, and for current, +0.10%/°C.

Enhancing heat transfer efficiency in solar storage devices using eddy current structures and vibrations

This study introduces a novel phase change material (PCM)-based solar energy storage system integrating Tesla valve-inspired eddy current structures and mechanical vibrations to enhance thermal performance. By systematically optimizing the geometric design and vibration parameters, a 90°shunt angle was identified as the most effective configuration, achieving a significant 59.9% reduction in PCM melting time and completing the melting process in just 178 s. This superior performance was attributed to the generation of strong eddy currents, which disrupted the thermal boundary layer and enhanced heat transfer between the heat transfer fluid (HTF) and PCM. Mechanical vibrations (0.0003 m amplitude and 100 Hz frequency) further improved performance, particularly for shunt angles of 30°and 60°, where melting times were reduced by 13.4% and 13.36%, respectively, demonstrating the synergistic effects of geometry and vibration.The impact of natural convection was evaluated across a range of Rayleigh numbers (11,400 to 1,140,000), revealing that higher Rayleigh numbers enhanced heat transfer, especially for the 90°configuration. In contrast, shunt angles exceeding 90°showed reduced efficiency due to the thickening of boundary layers. Comparative analysis with existing heat transfer enhancement studies demonstrated the superior performance of the proposed system, which achieved greater reductions in melting time compared to designs using fin structures or optimized inclinations. This research provides valuable insights into the development of high-performance, scalable, and sustainable solar energy storage systems, bridging the gap between laboratory innovation and practical application.

Achieving 31.16 % efficiency in perovskite solar cells via synergistic Dion-Jacobson 2D-3D layer design

Among environmental friendly energy sources solar energy is prominent one that can be harnessed via photovoltaic (PV) cells. The hybrid organic & inorganic perovskite solar cells (PSCs), have shown appealing PV performance. Halide-based perovskites (PVSK) offer several advantages, including low cost, high efficiency, and ease of fabrication. However, there are stability issues with these 3D perovskite materials. The solar device based on 2D PVSK materials are being used more and more in modern applications to address these problems. Ruddlesden-Popper (RP) & Dion-Jacobson (DJ) phases are the two main forms of 2D PVSK. These materials offer significantly greater stability compared to 3D perovskites, making them a promising alternative. In this study, we combine 2D and 3D perovskites to strengthen both reliability as well as efficiency of 3D PSCs. The present work explores the combined effect of DJ 2D-3D PVSK layers on device performance. The DJ 2D material used is PeDAMA4Pb5I16, while the 3D material is the lead-free, stable CsGeI3-xBrx (with x = 1). The optimized solar cell structure developed in this work consists of (Au/Cu2O/PeDAMA4Pb5I16/CsGeI3-xBrx/PCBM/FTO). A thorough analysis was performed on the impact of various ETLs and HTLs, as well as factors such as defect density (Nt), 2D-3D layer thickness, shallow acceptor density (NA), series (RS) and shunt resistances (RSh), and temperature variations. In the present work, PCE has significantly improved, reaching an amazing 31.16 %. Other noteworthy metrics include a JSC 22.55 mA.cm−2, FF 88.47 % and VOC 1.5617 V, all demonstrating exceptional performance. These results demonstrate the effectiveness of our approach in strengthening the efficiency and performance of DJ 2D-3D PSCs, highlighting their potential for future applications.

Experimental study on conversion of blanched grapes to raisins without chemicals through solar dryer to reduce drying time

Solar dryers are solar thermal devices which increase the drying temperature and aid in moisture removal from the load, leading to faster drying of the agri-product as compared to the open sun drying. Conversion of grapes to raisins can be effectively achieved through solar dryers, and efforts are ongoing to improve the efficiency and further reduce the drying time. Usually in order to reduce the drying time for the conversion of grapes to raisins several pre-treatment methods with the use of chemicals are employed. In the present work pre-treatment in the form of blanching of grapes is adopted without the use of any chemicals to study the effect on the drying time in the solar dryer. The experimental results have been compared with the study of conversion of grapes to raisins with the same solar dryer without blanching. It is found that pre-treatment in the form of blanching resulted in a reduction in drying time to almost half. Experimental observations for the temperature profile studies relating to ambient temperature, air temperature inside the dryer, base plate temperature and solar radiation are presented in the form of graphs and calculations have been carried out for the estimation of drying rate and efficiency.

The Simplified Method (TSM)

The EU regulations on Ecodesign and Labelling 811-814 apply to space heaters, water heaters and solar devices. They have been under revision since 2017. The revision should make it easier to calculate the efficiency of solar thermal systems and determine it more correctly. In addition, the improved overall efficiency in connection with the primary energy-consuming heat generators should be made more visible to the consumer. A group of experts under the leadership of the European solar thermal association Solar Heat Europe (SHE/ESTIF) developed a comprehensively valid and simple method for assessing solar thermal systems in accordance with EU regulations. The Gross Thermal Yield (GTY) known from the Solar Keymark certification is used as the sole and standardized solar assessment basis to calculate the new assessment parameter "Solar Device Efficiency". In the system calculation, it is equal to the efficiency of a primary energy consuming heat generator, be it a boiler, a heat pump or an electric heating element, and, simply multiplied by the efficiency of the respective heat generator, gives the resulting efficiency of a solar hybrid or solar assisted package. With the new calculation method, it will be possible to achieve the highest class A for water heating and an improvement of up to 2 classes in combination with a heat generator for space heating with normally dimensioned solar systems within the planned reintroduction of the original label classes A-F. This paper reflects the current status of the drafts [1] and [2] of the regulations. The designations, symbols and indices used below are provisional. They are based on the correction proposals of Solar Heat Europe, as the current draft of the EU Commission is still inconsistent and partly incorrect with regard to the nomenclature.

A comprehensive analysis of structural, electronic, optical, mechanical, thermodynamic, and thermoelectric properties of direct band gap Sr3BF3 (B = As, Sb) photovoltaic compounds: DFT-GGA and mBJ approach

This study evaluates the physical properties of lead-free Sr3BF3 (B = As, Sb) photovoltaic compounds including structural, electronic, mechanical, optical, thermodynamic, and thermoelectric behavior using calculations based on DFT approach. Born stability criteria and formation enthalpy estimates show that the compounds under study are mechanically and thermodynamically stable. The initial lattice constants for Sr3AsF3 and Sr3SbF3 were determined to be 5.71 Å and 5.97 Å, respectively. While simulating the compounds under pressure, lattice constants, cell volumes, and bond lengths decrease. The band structure investigation shows that these compounds are semiconducting with an adjustable direct bandgap. The electronic band gap contracts by pressure, shifting the material from ultraviolet to the visible spectrum. This modification enhances electron transition from valence band maxima to conduction band minima, enhancing optical efficiency. The shift and rise in ductility and machinability index under pressure ensures good lubrication, low friction, and significant plastic deformation suitable for many industrial applications. Simultaneously, the static dielectric constant increases, increasing absorption and conductivity and red-shifting the optical spectrum, and reducing reflectivity in the visible spectrum. The thermodynamic behavior of the compounds was affected by both pressure and temperature variation. The thermoelectric figure of merit becomes closer to unity with a shorter band gap, indicating increased efficiency. Our findings suggest that Sr3BF3 (B = As, Sb) photovoltaic compounds could be used for the invention of next-generation solar cells and thermoelectric devices.

Optimizing Na2EDTA concentration for enhanced properties of SILAR - deposited CTS thin films

Abstract This study investigates the impact of varying Na2EDTA concentrations on the properties of copper tin sulfide (CTS) thin films deposited on soda lime glass substrates using the successive ionic layer adsorption and reaction (SILAR) method. The aim is to optimize CTS thin film growth for photovoltaic technology applications. CTS thin films were prepared using SILAR with Na2EDTA concentrations of 0.01 M, 0.04 M, and 0.07 M, resulting in samples CTS01, CTS04, and CTS07. Characterization techniques included XRD, SEM, EDAX, FTIR, I-V curves, transmittance spectra, and Tauc plots. The results reveal significant variations in film properties with changing Na2EDTA concentration. XRD patterns indicate polycrystalline films with an orthorhombic CTS phase. SEM images show smooth, dense films with localized clusters. FTIR spectra detect hydrocarbon chains, aromatic rings, and hydroxyl or ether groups. The I-V curves of three samples (CTS01, CTS04, and CTS07) show a voltage-dependent transition from semiconducting to ohmic behavior. The CTS01 exhibits superior conductivity (3.13 × 10−5/Ωm), while the samples’ resistance and conductivity values show an inverse relationship. Transmittance curves display low UV transmittance and high visible transmittance,suggests that the samples are highly absorptive in the UV range and become more transparent in the visible range, indicating potential applications in optical filtering and photovoltaic devices. Tauc plots estimate band gap energies of 3.66, 3.89, and 3.23 eV, indicating high band gap energies suitable for buffer layers in solar cells. The correlation between band gap energy and crystallite size as a function of Na2EDTA concentration is also observed. The study demonstrates the importance of optimizing Na2EDTA concentration for achieving high-quality CTS thin films with desirable properties for photovoltaic applications. The findings highlight the potential of CTS thin films for solar cells, optical filtering, and photonic devices.

Multi-level pumping water system from bioengineering wood microstructure by self-growing mycelium for boosting photothermal evaporation efficiency

Due to low cost, renewability, high porosity and eco-friendliness, wood has been widely used to design solar steam generation devices, displaying great promise for clean water production in desalination and wastewater treatment. However, cleaner preparation processes and efficient structure design of wood based interfacial evaporators still need further exploration and development. Here, we reported an eco-friendly bio-incising method of wood microstructure modulation to fabricate high-performance wood-based solar steam generator by creating multi-level pumping water system. Self-growing Trametes versicolor (TV) which is a kind of bothersome wood fungus was skillfully used to increase porosity of wood and form interweaved mycelia fibers on wood surface, achieving the resegmentation and transmission of water bodies. These water-absorbing cell fibers and porous wood substrate collectively form a multi-level pumping water system ensuring effective heat management and high water evaporation area. Coupling with densely dispersed polydopamine nanoparticles (PDA NPs) on the surface of TV fiber for light absorption enhancement, the designed wood based solar steam generator with a smallest thickness of 1 mm shows outstanding evaporation rate (1.61 kg·m−2·h−1) and solar energy conversion efficiency (98.4 %) under simulated 1 sun irradiation. Moreover, the obtained clean water using as-prepared steam generator shows high removal rates both in simulated seawater and wastewater. This work presents a novel concept and green method for designing high-performance wood-based solar steam generator with multi-level pumping water system.

Hybrid 2D Phosphorene‐Black Carbon Material for Dye‐Sensitized Solar Cells as Counterelectrode

Since the discovery of graphene in 2004, 2D materials have been the subject of extensive research, in particular, 2D phosphorene due to its anisotropic properties. The aim of this study is, therefore, to improve the efficiency of dye‐sensitized solar cells (DSSCs), considered to be the next generation of solar cells, by using 2D phosphorene material. To this end, a 2D phosphorene/black carbon hybrid material is prepared and used as a counterelectrode in DSSCs. This work also demonstrates the stability of the manufactured solar devices under different aging conditions. The results show that the device based on a 2D phosphorene/black carbon counterelectrode achieves an efficiency of 7.53%, compared with 5.68% for the pristine solar cell based on black carbon only. Interestingly, after 1200 h of continuous light exposure, the DSSC based on the hybrid 2D phosphorene/black carbon material retains 87% of its initial efficiency, while the pristine solar device maintains only 62.5% of its initial performance. This study paves the way for further research into 2D phosphorene material and its use in this promising solar technology.

Carbon monochalcogenides/graphene van der Waals heterostructures for sustainable energy harvesting

We constructed the van der Waals (vdW) heterostructures by stacking graphene (G) on top of carbon-based monochalcogenides (CX; X = S, Se, and Te) monolayer in two different patterns (I and II) and predicted various physical properties through first-principles calculations. Among the six heterostructures, three systems (CS/G in Pattern-I and II, and CSe/G in Pattern-II) were found to be most stable. Additionally, the calculated electronic properties confirmed that the CS/G and CSe/G heterostructures in Pattern II are indirect semiconductors with narrow band gap values of 0.49 and 0.30 eV, respectively. Notably, both heterostructures (CS/G and CSe/G) exhibit significantly larger electron carrier mobilities of 762.83 and 206.84 m2/Vs at room temperature, respectively. Furthermore, intrinsic and interface dipoles in both heterostructures were found to align along the +z axis, enhancing charge transfer at the interface and narrowing the band gap, particularly in CSe/G. This polarization effect contributes to the observed high electron mobility and thermoelectric performance. Electronic transport coefficients like the Seebeck coefficient, electrical conductivity, and thermoelectric power factor are predicted using the Boltzmann transport theory implemented in the BoltzTrap code. The highest power factor 249mW/mK2 was achieved for the CSe/G heterostructure at 300K, demonstrating its ability for good thermoelectric purposes. Besides, the computed optical properties revealed the potential of the CS/G heterostructure as a light absorber with an excellent solar light energy conversion efficiency (η) of 23.57 % for solar cell device applications. Our predictions show that the novel 2D CX/G vdW heterostructures could be promising candidates for designing new solar and heat energy harvesting devices.

Emerging Bi‐Based Multicationic Ternary Chalcogenides as Promising Photoabsorbers for Solar Cells

Bismuth‐based multicationic chalcogenide solar cells of class ABiX2 (A–Ag, Cu; X–S, Se) have attracted substantial interest within the photovoltaic research community mainly due to their nontoxic nature and rising power conversion efficiencies. Although a good amount of research on these materials is underway, it calls for an intense and comprehensive approach to address the poor performance (PCE 10%) compared to its reported theoretical efficiency of 29%. Hence a review in this direction to address various unexplored concerns of these materials particularly, the defects and unfavorable band positions that give rise to enormous nonradiative recombinations, leading to major voltage losses in these devices is necessary. The article also discusses the structural and electronic properties, deposition techniques, device optimization strategies, impact of grain size, interface engineering, cationic disorder, transport layers, and light‐harvesting techniques that may be required to enhance the device performance. Additionally, a comprehensive analysis of stability and cost considerations of the emerging AgBiS2 solar devices is conducted to unveil their real‐time applications in comparison to current state‐of‐the‐art devices.

Nanomaterials for Energy Conversion

Nanomaterials have emerged as a cornerstone in advancing energy conversion technologies, offering unparalleled potential for improving efficiency and sustainability. Their unique properties—such as high surface area, tunable electronic structure, and quantum effects—enable superior performance in applications like solar cells, fuel cells, thermoelectric devices, and batteries. By manipulating nanoscale architectures, researchers can enhance energy harvesting, storage, and conversion processes. This study explores the role of nanomaterials in energy conversion, focusing on their design, synthesis, and application in cutting-edge technologies. The integration of nanomaterials with advanced energy systems has shown significant potential to address challenges such as limited energy resources and environmental concerns. Special emphasis is placed on nanostructured semiconductors, quantum dots, and graphene-based materials for their contributions to photovoltaic and catalytic processes. Despite their advantages, challenges remain, including scalability, stability, and cost-efficiency. This research aims to provide a comprehensive overview of recent advancements, evaluate existing challenges, and highlight future directions for nanomaterials in energy conversion, ultimately contributing to a sustainable energy future.

Study of Ionanofluids Behavior in PVT Solar Collectors: Determination of Thermal Fields and Characteristic Length by Means of HEATT® Platform

Solar electric and solar thermal energies are often considered as part of the solution to the current energy emergency. The pipes of flat plate solar devices are normally heated by their upper surfaces giving rise to an asymmetric temperature field in the bulk of the fluid, which influences the heat transfer process. In the present work, a study of the characteristic length of tubes, or most efficient distance at which heat transfer occurs, in flat photovoltaic-thermal (PVT) hybrid solar devices has been carried out using three heat transfer fluids: water, [Emim]Ac ionic liquid and ionanofluid of graphene nanoparticles suspended in the former ionic liquid. The mean objective of the study was to know whether the heat transfer occurs in optimal conditions. Experimental measurements have been made on a commercial PVT device, and numerical simulations have been performed using the HEATT® platform to determine the characteristic length of the process. The tests conducted showed a clear improvement in the temperature jump of the fluid inside the collector when INF is used compared to water and ionic liquid and even a higher overall energy efficiency. Electricity generation is not greatly affected by the fluid used, although it is slightly higher when water is used. Slower fluid velocities are recommended if high fluid outlet temperatures are the goal of the application, but this penalizes the overall thermal energy production. The characteristic process length is not typically achieved in parallel tube PVT collectors with ordinary flow rates, which would require a speed, and consequently, a flow rate, about 10 times lower, which penalizes the performance (up to four times), although it increases the fluid outlet temperature by 234%, which can be very interesting in certain applications. Ionanofluids may in the medium term become an alternative to water in flat plates or vacuum solar collectors for applications with temperatures close to or above 100 °C, when their costs will hopefully fall. The results and methodology developed in this work are applicable to solar thermal collectors other than PVT collectors.

Energy Band Alignment and Defect Synergistic Regulation Enable Air-Solution-Processed Kesterite Solar Cells With the Lowest VOC Deficit.

The major challenge in preparing high-performance Cu2ZnSn(S,Se)4 solar cells is the large open circuit voltage deficit (VOC-def). A new strategy utilizing the synergistic substitution of Ag and In dual cations has been proposed to simultaneously address the problems of undesirable interface band alignment and high-density detrimental bulk defects, obtaining decreased carrier recombination rate and increased minority carrier lifetime. The shorter In-S/Se bonds move the CBM higher by generating stronger repulsive force than the Sn-S/Se bonds, thus adjusting the interface band alignment. Ag substitution can effectively suppress Cu─Zn disorder, while Ag, In dual substitution can further passivate Sn-related defects and solve the issue of low carrier concentration in Ag single-substituted samples. Besides, the superior carrier property of In-Se materials significantly enhanced the device carrier lifetime and minority carrier diffusion length. The state-of-the-art air-solution-processed CZTSSe device without any addition treatment with 14.33% efficiency and 580mV VOC is obtained, possessing the lowest VOC-def value currently available in the CZTSSe field (VOC/VOC SQ = 64.7%). This work emphasizes the synergistic modulation of band alignment, defect level, grain growth, and carrier transportation by dual cation substitution, which paves a convenient and effective way to realize high-performance solar cells and photovoltaic devices.

Carbazole-phenothiazine sensitizers boost tandem DSSC efficiency to 12.85 %

This study presents a significant advancement in tandem dye-sensitized solar cells (T-DSSCs) through the development of two carbazole-phenothiazine hybrid sensitizers, AEFH-1 and AEFH-2. AEFH-2, featuring a 4-carboxylcyanoacetamide acceptor group, thus achieving a remarkable power conversion efficiency (PCE) of 11.70 %, surpassing AEFH-1 (10.21 %) and the standard N719 dye (7.60 %). The superior performance of AEFH-2 is attributed to its optimized molecular design, which enhances the charge separation and electron injection efficiency. The incident photon-to-current efficiency (IPCE) of AEFH-2 reached 91.54 %, which was significantly higher than that of N719 (77.0 %) because of its strong electron-withdrawing groups and multiple anchoring functionalities, which improved TiO2 binding and charge transfer. Furthermore, an innovative double-sided parallel tandem DSSC (PT-DSSC) architecture was developed by integrating (N719 (top) and AEFH-2 (bottom)), resulting in a PCE of 12.85 %. This configuration exhibited exceptional photovoltaic parameters, including a Voc of 0.900 V, Jsc of 21.01 mA/cm2, and a fill factor of 67.95 %. The high IPCE of 97.50 % in the tandem setup was attributed to the complementary absorption profiles of N719 and AEFH-2, coupled with the light-trapping effect of the double-sided structure, enabling superior light harvesting and charge separation. Stability analysis further confirmed the durability of the tandem PT-DSSC, with performance maintained over 1000 h of continuous illumination, thus emphasizing its practical applicability. These findings underscore the potential of molecular engineering and architectural innovation to significantly enhance the efficiency and scalability of DSSCs, paving the way for high-performance, long-lasting solar energy devices.

A DFT investigation of lead-free Rb2YCuX6 (X = Cl, Br, I) perovskites for potential applications in solar cells and thermoelectric devices

A DFT investigation of lead-free Rb2YCuX6 (X = Cl, Br, I) perovskites for potential applications in solar cells and thermoelectric devices

Expanded graphite encapsulation of nitrates for enhanced thermal transport: Mechanism insight and component screening

The efficient improvement of the heat transfer capability of high-temperature molten salts and the accurate measurement within the operating temperature range is vital for improving the efficiency of concentrating solar power devices. Through theoretical investigation, this paper explores different thermal properties including thermal conductivity, phase transition properties and interfacial interactions using a range of expanded graphite/nitrates (EG/nitrates). Molecular dynamics simulations reveal that the EG/eutectic salt (ES) exhibits optimal comprehensive properties. Experimentally prepared EG/ES composite phase change materials (PCMs), coupled with theoretical predictions, demonstrate exceptional thermal conductivity (2.2 W m−1 K−1) and a significant latent heat of phase change (>80 J g−1). The calculation results of the interaction energy between the host-guest indicate that the strong interaction of the EG to ES restricts the molecule movement, leading to a weak temperature dependence of the thermal conductivity of the EG/ES composite PCM. This contrasts with the conventional understanding of PCM thermal conductivity, which typically exhibits a sharp change during the phase transition from solid state to liquid state. Additionally, the thermal response of 15 wt% EG/ES is increased by 27.2 % compared to pure ES, which effectively helps alleviate local overheating in practical applications. The progress made so far sheds light on the mechanism behind the improved heat transfer and storage performance of nitrate from a microscopic view, offering valuable theoretical insight for developing high-efficient nitrate PCMs in solar thermal power generation systems.

Solar sail transfer strategy for long-duration multi-objective mission in cislunar space utilizing solar radiation and reflectivity control device

Abstract This study delves into the complexities of optimizing solar sail trajectories for long-duration multi-objective missions in cislunar space, focusing on orbital transfers between halo orbits and distant retrograde orbits. It presents an innovative transfer strategy that integrates solar radiation propulsion and reflectivity control devices to effectively adjust thrust force magnitude and direction, thereby improving maneuver capabilities. The optimization method is founded on the coupled dynamics of a solar sail, aiming to minimize the transfer time of flight using the Hermite-Simpson collocation method while ensuring optimal performance. Through thorough analysis and comparison, the research strives to determine the most efficient trajectory for solar sail orbital transfers in cislunar space.

Strain-modulation of electronic and optical properties of two-dimensional GeTe/SnSe van der Waals heterostructure

By first-principles method, the electronic and optical properties of stable GeTe/SnSe van der Waals heterostructure under strain have been investigated. By applying uniaxial and biaxial strain, the bandgap and band alignment of this heterostructure can be controlled, and semiconductor-metal phase transition is observed. By applying biaxial strain, the optical absorption of the heterostructure can be improved, and the power conversion efficiency can be improved from 13% to 19%. The easily controlled electronic properties and good optical properties make GeTe/SnSe van der Waals heterostructure to be a promising material in optoelectronic and solar energy conversion devices.

Doping effects on boron carbide quantum dots for solar cells application: DFT study

The DFT method was used to explore the photovoltaic properties of nitrogen- and phosphorus-doped boron carbide quantum dots (BC3QDs). Results showed chemical activity values of -5.512 eV for nitrogen-doped and -3.971 eV for phosphorus-doped BC3QDs, with nitrogen-doped samples exhibiting higher chemical activity. Doping introduced mid-gap states, causing a red shift in the absorption spectra of 106 nm for nitrogen and 118 nm for phosphorus doping. Nitrogen doping (N-doping) enhanced charge transfer capabilities compared to phosphorus doping (P-doping). The nitrogen-doped BC3QDs also displayed HOMO and LUMO energy levels (-5.373 eV and -2.103 eV, respectively) that are closer to TiO2 and I−/I3−, making them more compatible for solar cell applications by increasing electron injection, fill factor, light collection efficiency, and open-circuit voltage. Despite an improved energy conversion potential, the N-doped BC3QDs’ efficiency (72.34%) was impacted by rapid non-radiative recombination. These insights can guide the design of BC3QDs in solar energy applications, photocatalytic devices, and QD nano-composites for energy harvesting.