Intermediate Band Solar Cells Research Articles

Theoretical Investigation and Improvement of Characteristics of InAs/GaAs Quantum Dot Intermediate Band Solar Cells by Optimizing Quantum Dot Dimensions

Quantum dot (QD)-based solar cells have been the focus of extensive research. One of the critical challenges in this field is optimizing the size and placement of QDs within the cells to enhance light absorption and overall efficiency. This paper theoretically investigates InAs/GaAs QD intermediate band solar cells (QD-IBSC) employing cylindrical QDs. The goal is to explore factors affecting light absorption and efficiency in QD-IBSC, such as the positioning of QDs, their dimensions, and the spacing (pitch) between the centers of adjacent dots. Achieving optimal values to enhance cell efficiency involves modifying and optimizing these QD parameters. This study involves an analysis of more than 500 frequency points to optimize parameters and evaluate efficiency under three distinct conditions: output power optimization, short-circuit current optimization, and generation rate optimization. The results indicate that optimizing the short-circuit current leads to the highest efficiency compared to the other conditions. Under optimized conditions, the efficiency and current density increase to 34.3% and 38.42 mA/cm2, respectively, representing a remarkable improvement of 15% and 22% compared to the reference cell.

Numerical Analysis of InGaN/GaN Intermediate Band Solar Cells Under X-sun Concentration, In-compositions, and Doping: Unlocking the Potential of Concentrated Photovoltaics

Numerical Analysis of InGaN/GaN Intermediate Band Solar Cells Under X-sun Concentration, In-compositions, and Doping: Unlocking the Potential of Concentrated Photovoltaics

Panoply of Ni-Doping-Induced Reconstructions, Electronic Phases, and Ferroelectricity in 1T-MoS2.

The distorted phases of monolayer 1T-MoS2 have distinct electronic properties, with potential applications in optoelectronics, catalysis, and batteries. We theoretically investigate the use of Ni-doping to generate distorted 1T phases and find not only the ones usually reported but also two further phases (3 × 3 and 4 × 4), depending on the concentration and the substitutional or adatom doping site. Corresponding pristine phases are stable after removal of dopants, which might offer a potential route to experimental synthesis. We find large ferroelectric polarizations, most notably in 3 × 3 which─compared to the recently measured 1T″─has 100 times greater ferroelectric polarization, a lower energy, and a larger band gap. Doped phases include exotic multiferroic semimetals, ferromagnetic polar metals, and improper ferroelectrics with only in-plane polarization switchable. The pristine phases have unusual multiple gaps in the conduction bands with possible applications for intermediate band solar cells, transparent conductors, and nonlinear optics.

Efficiency of InN/InGaN/GaN Intermediate-Band Solar Cell under the Effects of Hydrostatic Pressure, In-Compositions, Built-in-Electric Field, Confinement, and Thickness.

This paper presents a thorough numerical investigation focused on optimizing the efficiency of quantum-well intermediate-band solar cells (QW-IBSCs) based on III-nitride materials. The optimization strategy encompasses manipulating confinement potential energy, controlling hydrostatic pressure, adjusting compositions, and varying thickness. The built-in electric fields in (In, Ga)N alloys and heavy-hole levels are considered to enhance the results' accuracy. The finite element method (FEM) and Python 3.8 are employed to numerically solve the Schrödinger equation within the effective mass theory framework. This study reveals that meticulous design can achieve a theoretical photovoltaic efficiency of quantum-well intermediate-band solar cells (QW-IBSCs) that surpasses the Shockley-Queisser limit. Moreover, reducing the thickness of the layers enhances the light-absorbing capacity and, therefore, contributes to efficiency improvement. Additionally, the shape of the confinement potential significantly influences the device's performance. This work is critical for society, as it represents a significant advancement in sustainable energy solutions, holding the promise of enhancing both the efficiency and accessibility of solar power generation. Consequently, this research stands at the forefront of innovation, offering a tangible and impactful contribution toward a greener and more sustainable energy future.

Increasing the two-photon photocurrent saturation limit in a quantum ratchet intermediate band solar cell

A quantum ratchet intermediate band solar cell based on a quantum well superlattice is investigated. The design is similar to that of a previously reported device, but it employs a stronger built-in electric field across the heterojunction; therefore, it works at higher illumination intensities before the photocurrent saturates due to photocarrier accumulation screening out the field and causing leveling of the bands. In this present device, saturation of the two-photon photocurrent occurred at a valence-to-intermediate band pulse energy of ∼4 nJ, approximately ten times greater than the previously reported device, making it more suitable for concentrator applications.

Group-IIIA element doped BaSnS2 as a high efficiency absorber for intermediate band solar cell from a first-principles insight.

The quest for high-performance solar cell absorbers has garnered significant attention in the field of photovoltaic research in recent years. To overcome the Shockley-Queisser (SQ) limit of ∼31% for single junction solar cell and realize higher power conversion efficiency, the concept of an intermediate band solar cell (IBSC) has been proposed. This involves the incorporation of an intermediate band (IB) to assist the three band-edge absorptions within the single absorber layer. BaSnS2 has an appropriate width of its forbidden gap in order to host an IB. In this work, doping of BaSnS2 was studied based on hybrid functional calculations. The results demonstrated that isolated and half-filled IBs were generated with suitable energy states in the band gap region after group-IIIA element (i.e., Al, Ga, and In) doping at Sn site. The theoretical efficiencies under one sun illumination of 39.0%, 44.3%, and 39.7% were obtained for 25% doping concentration of Al, Ga, and In, respectively; thus, larger than the single-junction SQ-limit. Furthermore, the dopants have lower formation energies when substituting the Sn site compare to occupying the Ba and S sites, and that helps realizing a proper IB with three band-edge absorptions. Therefore, group-IIIA element doped BaSnS2 is proposed as a high-efficiency absorber for IBSC.

Tuning electrical and optical properties of InAs/GaAs1−x Sb x quantum dots

Understanding the electrical and optical properties of InAs/GaAs(Sb) quantum dots (QDs) is essential for designing and improving the performance of related semiconductor QD devices. In this paper, the effects of In segregation, QD size, capping layer thickness and Sb composition on the electrical and optical properties of type I and type II InAs/GaAs1−x Sb x () QDs are systematically investigated and general regularities are summarized. The comparisons of electron distribution probabilities, interband and intraband transition energies and absorption coefficients show that In segregation and QD size have a strong influence on the electron energy level positions of InAs QDs and that the trade-offs between absorption peak energy, absorption intensity and radiative lifetime of InAs/GaAs1−x Sb x QDs can be optimized by adjusting the thickness and Sb composition of the GaAs1−x Sb x capping layer. The results obtained are promising for the applications in the pre-design and performance feedback of the QD devices such as QD lasers, QD infrared detectors and intermediate band solar cells.

Drift–Diffusion Simulation of Intermediate Band Solar Cell: Effect of Intermediate Band Continuity Constraint

Self-consistent drift–diffusion model has been widely employed to simulate the device performance of intermediate band solar cell (IBSC) under practical device configuration. However, one of the remained issues in the drift–diffusion modeled-based works is the difficulty to reach the IB carrier continuity through the self-consistent manner. In most of the previous reports the constraints were relaxed or just partially satisfied; which render the unreliable performance results and misguide the device design strategy. In this work, in order to solve this issue and to validate our results, we performed extensive simulations to fully disclose the significant effect of the IB continuity constraints by taking InAs/GaAs quantum dot-based IBSC as a model device using the semiconductor modules in COMSOL Multiphysics combined with the Fortran codes. We found that under rigorous satisfaction of IB continuity constraint, the band potential profiles for the IBSC with either doped or nondoped IB under various light illumination conditions are nearly identical to those under the dark conditions. Moreover, from the simulated current–voltage curve dependence on the light concentration ratio, we found the device performance based on drift–diffusion under rigorous IB continuity constraint showed similar tendency to the features simulated based on detailed balance principle except the much-lowered power conversion efficiency. Our work demonstrated here, serves as an accurate and reliable IBSC device design approach toward better IB material screening, efficiency improvement, optical management, and extended application in the emerging field such as the perovskite material-based IBSC.

Panning ideal In(Ga)As(P)/InGaP quantum dot structures for intermediate band solar cells

The In(Ga)As(P)/InGaP quantum dot (QD)system has been investigated for QD intermediate band solar cells. In order to obtain optical transition energies compatible with the ideal ones required for the device record performance, namely: 1.95 eV, 1.24 eV and 0.7 eV, first disordered InGaP with a bandgap of 1.91 eV as the barrier material has been obtained. Then InAs QDs nucleated at 490 °C, 1.32 MLs thick, covered by a 3–4 nm GaAs capping layer and In-flushed provided radiation emission in the energy interval between 1.15 eV and 1.35 eV, fully compatible with the ideal 1.24 eV. The 4 nm capped structures have been proven to exhibit a stronger PL emission at 1.24 eV. Nominal InAs QDs suffer a pronounced incorporation of Ga, a consequence of In/Ga intermixing at their capping layer and barrier interfaces. An As/P intermixing also takes place at the quantum dot—barrier interface. The encouraging results herald further improvement of QD intermediate band solar cell’s performance.

Boosting Photovoltaic Efficiency in Double Quantum Well Intermediate Band-Solar Cells through Impurity Positioning

Boosting Photovoltaic Efficiency in Double Quantum Well Intermediate Band-Solar Cells through Impurity Positioning

Identifying the photon absorption characteristics of Cr-doped Cu2ZnSnS4 (CZTS:Cr) thin film deposited by Co-sputtering technique

This study investigates the potential of a quaternary compound semiconductor to be realized as the absorber layer for third-generation intermediate band solar cells (IBSCs). In this work, the effects of Cr doping into Cu2ZnSnS4 (CZTS) host material to form intermediate band within the forbidden bandgap were studied. The films were deposited by a co-sputtering technique. It has been found that Cr has a high preference to substitute Zn, followed by Sn, then Cu. Insufficient Cr does not lead to intermediate band but, instead, forms defect states within the bandgap. Excess Cr however deteriorates CZTS (112) peak while at the same time secondary phase of cubic-ZnCr2S4 starts to grow. At sufficient levels of Cr content, absorption coefficient tremendously improved to 105 cm−1, resulting in an additional absorption peak attributed to possible formation of an intermediate band. This intermediate band is located at 1.40 ± 0.02 eV below CBM, while the band gap Eg is 1.55 eV. Further optimization to the sulphurization process reveals that the intermediate band peak, ECIL could be adjusted towards blue or red shift by manipulating Cr and/or sulphur content. This yields a bandgap of 1.52 eV with two intermediate bands positioned at 0.90 eV and 1.20 eV above the VBM. These preliminary findings are beneficial prior to realizing a working device of CZTS:Cr intermediate band solar cell.

Effect of noise-induced quantum coherence in the intermediate band solar cells

It has been shown that quantum coherence induced by incoherent light can increase the efficiency of solar cells. Here we evaluate the effect of such coherence in the intermediate band solar cells (IBSC). We first examine a six-level quantum IBSC model and demonstrate by simulation that the maximum output power in a solar cell with a quantum structure increases more than 16 percent in the case of coherence existence. We then propose an IBSC model which can absorb continuous spectra of sunlight and show that the quantum coherence can increase the output power of the cell. For instance, calculations indicate that the coherence makes an increase of about 31% in the maximum output power of a cell that the width of the conduction and intermediate bands are 100 and 10 meV, respectively. Also, our calculations show that the quantum coherence effect is still observed in increasing the solar cell power by expanding the width of the conduction band, although the output power is reduced due to an increase in thermalization loss. However, expanding the width of the intermediate band reduces the coherence effect.

Optical absorption spectra of GaSb/GaAs quantum-ring-with-dot structures and their potential for intermediate band solar cells

Optical absorption spectra of GaSb/GaAs quantum-ring-with-dot structures (QRDSs) are calculated using Fermi’s golden rule by which the electronic states involved in the optical transitions are obtained from the eight-band k ⋅ p method. The absorption spectra of multi-stacked QRDS layers show that the interband and intraband transitions are favorable to intermediate band solar cells (IBSCs). A drift-diffusion model with rate equations for a solar cell containing multi-stacked QRDS layers is formulated based on the absorption spectra. The external quantum efficiency (EQE) determined by the model with the AM1.5 solar spectrum and additional infrared light demonstrates that the confined hole states in the quantum ring (QR) parts of the QRDSs effectively function as an IB. The more efficient two-step photon absorption indicated by the enhancement of the EQE also suggests the potential of QRDSs for the IBSCs.

Inverse design of intermediate band solar cell via a joint drift-diffusion simulator and deep reinforcement learning scheme

In this work, we developed an efficient inverse design approach for optimal intermediate band solar cells (IBSC) device design given a target performance by using a joint drift-diffusion simulator and deep reinforcement learning scheme. The drift-diffusion simulator for IBSC simulation was constructed by using the semiconductor module and wave optics module of COMSOL MultiPhysics®. The deep deterministic policy gradient (DDPG) algorithm was chosen as the learning algorithm to optimize the specified device structure. A GaAs quantum well-embedded IBSC was used as the test candidate to verify the performance of the DDPG-based inverse design approach. A maximum efficiency of was reached for the device with optimal structure parameters searched by the DDPG agent, which exceeds the target efficiency of 30%. The subsequent optical analysis revealed that the electric field enhancement due to light absorption at the IB region with a wavelength between 450 nm and 600 nm is mainly contributing to the significantly increased short-circuit current for the optimized device. Meanwhile, a parameters correlation with target conversion efficiency evaluated by topological data analysis successfully identified all the positive and negative parameters with respect to the target parameter, indicating the physical soundness of the optimized structure parameters. Our work presented here demonstrates that a well-trained AI agent can fulfill the target efficiency by searching the optimal parameters for solar cell devices. The AI-based inverse design approach shows promising potential to serve as an efficient device design tool by greatly reducing the number of trial-and-error experiment demonstrations and replacing laborious human-guided device design workload.

Elucidating the local structure of V substitutes in In2S3 as potential intermediate band material by x-ray absorption spectroscopy and first principles calculations

Vanadium doped indium sulphide, In2S3:V, is studied as a potential absorber material for intermediate band (IB) solar cells. Based on electronic considerations, it is usually assumed that V occupies octahedrally coordinated In sites, although geometrical considerations would favour tetrahedral In sites. In this study, we therefore combined experimental x-ray diffraction and x-ray absorption spectroscopy with ab initio theoretical calculations of both and phase to elucidate the incorporation of V in In2S3:V thin films grown with different V content and different growth temperatures. Comparing shape and position of the measured and calculated x-ray absorption edge of V, comparing experimentally determined and calculated V–S bond lengths, and evaluating the calculated heat of solution of V on different lattice sites all indicate that V is incorporated on octahedral rather than tetrahedral sites in the In2S3 matrix. For this material system, the electronic benefit of octahedral coordination thus outweighs the mechanical stress of the associated lattice relaxation. Finally, we studied the electronic structure of V-substituted - using hybrid density functional calculations and find that for a concentration of 1.9 at %, V on octahedrally coordinated In sites forms an empty IB isolated from valence band and conduction band (CB). By increasing the V content to 3.8 at %, however, the gap between IB and CB closes, which results in a reduction of the band gap. This differs from the electronic structure calculated for -:V and clearly demonstrates that both crystal structure and V incorporation site affect the resulting electronic material properties.

A computational study of CuCrX2 (X = S, Se, Te) for intermediate band solar cell: Conceptual density functional theory approach

Transition metals doped semiconductors have been extensively used as a greener alternative to lead-based solar cell materials. In this work, we have investigated the structure, electronic, optical, and thermo-chemical properties of CuCrX2 (X = S, Se, Te) by using the Conceptual Density Functional Theory (CDFT) approach. Different suitable exchange correlations have been used for the process of geometry optimization of systems in the study. Applied exchange correlations namely B3LYP and WB97XD demonstrate that the energy gap shows a decline from the atom S to Se to Te. HOMO-LUMO obtained from level B3LYP/LANL2DZ is in accordance with the stated data. The attained band gap directs that studied materials could be beneficial for further utilization in optoelectronic and photovoltaic devices. A comparative study has been made based on the selected exchange correlations for the analysis of investigated materials, which has not been explored commonly. The study reveals that B3LYP/LANL2DZ could be a better choice for a combination set of level and basis set for studying these types of compounds. CDFT-based global reactivity descriptors are computed and analyzed. The obtained band gap range indicates the desirable nature of CuCrX2 for further exploration in the application of Intermediate Band Solar cells.

Viability of intermediate band solar cells based on InAs/GaAs submonolayer quantum dots and the role of surface reconstruction

Viability of intermediate band solar cells based on InAs/GaAs submonolayer quantum dots and the role of surface reconstruction

High-efficiency InAs/GaAs quantum dot intermediate band solar cell achieved through current constraint engineering

In this work, a novel device concept for improving the efficiency and field operation of conventional InAs/GaAs quantum dot (QD) based intermediate band solar cell (IBSC) with the feature of current constraint (CC-QD-IBSC) was proposed and evaluated from both theoretical simulations and experimental demonstrations. The advantages of the proposed device concept including increasing efficiency, obtaining higher suitability for operation under concentrated photovoltaic (CPV) condition and more robust efficiency stability against intermediate band fluctuation were rigorously identified using the detailed balance theorem by comparing with conventional InAs/GaAs QD-IBSC. Furthermore, a hybrid molecular beam epitaxy (MBE) and metal organic chemical vapor deposition (MOCVD) shuttle growth of the proposed CC-QD-IBSC were adopted in this work for better preserving QD induced intermediate band feature and overcoming practical growth difficulties. By introducing a InGaP top cell for constraining the current of InAs/GaAs QD-IBSC, the short circuit current density of CC-QD-IBSC decreased to 13.0mA/cm2 under 1 sun illumination, a near 50 % reduction compared to the conventional InAs/GaAs QD-IBSC. On the contrary, by well adjusting the regrowth interface between MBE and MOCVD, we managed to reach the highest conversion efficiency of 22.8 % measured at an UL certified laboratory under light concentration ratio of 93 suns for the proposed CC-QD-IBSC with well-functioning QD and IB feature. It is our belief that our results pave the road for developing techniques geared towards higher efficiency and more practical field applications.

Investigation of type-II Ga(As)Sb/GaAs quantum dots embedded in an InGaAs quantum well for solar cell applications

We theoretically investigate the electronic and optical properties of charge carriers in type-II Ga(As)Sb/GaAs quantum dots (QDs) embedded in an InGaAs quantum well (QW), to determine their viability for use in intermediate band solar cell (IBSC) devices. This hybrid structure has the advantage of allowing a large flexibility to alter wave function distribution of the electron ground state, which is often considered as an intermediate band (IB) in QD-IBSC. The polarized transitions dipole moment (TDM), the polarized absorption coefficients and the radiative lifetime were studied as a function of QD height. Our theoretical results show an enhancement of inter-band absorption spectrum with a redshift of the peak corresponding to h0→IB transition and a blueshift of the continuum→IB peak, as the height of QD increases. The intra-band light absorption spectrum exhibits a redshift and its magnitude remains almost unchanged, as the height of QD increases. Furthermore this structure provides strong intra-band light absorption comparable to that of type-I QDs and equivalent to h0→IB transition strength. A long carrier lifetime in IB of about 30ns was found, but remains more than an order of magnitude less than the inter-band radiative time due to the low confinement potentials of the electron along the ρ-axis in this type-II dot-in-well (DWELL) structure.

Sb-doped β-SrZrS3 as a low-toxic and low-priced absorber for intermediate band solar cells: A first-principles investigation

Intermediate band solar cell (IBSC) has received wide attention since it is considered as a feasible approach to overcome the Shockley-Quisser limit. Here, by using the first-principles calculations with HSE06-type hybrid functional, our calculated band gap of 2.04 eV is in line with the experimental result and demonstrates that β-SrZrS3 is a suitable host for the absorber of IBSC. A separated and partially-filled intermediate band(IB) is inserted into the forbidden gap of β-SrZrS3 after Sb replacing at Zr site (SbZr). Due to the presence of the IB, three-photon absorptions can be achieved in SbZr-doped SrZrS3 and the corresponding optical absorption coefficient matches the solar light spectrum adequately. Moreover, our calculated defect formation energy of SbZr is 0.94 eV, which is lower than that of SbS or SbSr under Sr-poor, Zr-poor and S-rich condition. Finally, Sb-doped β-SrZrS3 is recommended as a prospective low-toxic and low-priced absorber for IBSC.