Numerical Study and Optimization of CZTS-Based Thin-Film Solar Cell Structure with Different Novel Buffer-Layer Materials Using SCAPS-1D Software

This study explored the performances of CZTS-based thin-film solar cell with three novel buffer layer materials ZnS, CdS, and CdZnS, as well as with variation in thickness of buffer and absorber-layer, doping concentrations of absorber-layer material and operating temperature. Our aims focused to identify the most optimal thin-film solar cell structure that offers high efficiency and lower toxicity which are desirable for sustainable and eco-friendly energy sources globally. SCAPS-1D, widely used software for modeling and simulating solar cells, has been used and solar cell fundamental performance parameters such as open-circuited voltage (), short-circuited current density (), fill-factor() and efficiency() have been optimized in this study. Based on our simulation results, it was found that CZTS solar cell with Cd0.4Zn0.6S as buffer-layer offers the most optimal combination of high efficiency and lower toxicity in comparison to other structure investigated in our study. Although the efficiency of Cd0.4Zn0.6S, ZnS and CdS are comparable, Cd0.4Zn0.6S is preferable to use as buffer-layer for its non-toxic property. In addition, evaluation of performance as a function of buffer-layer thickness for Cd0.4Zn0.6S, ZnS and CdS showed that optimum buffer-layer thickness for Cd0.4Zn0.6S was in the range from 50 to 150nm while ZnS offered only 50 – 75 nm. Furthermore, the temperature dependence performance parameters evaluation revealed that it is better to operate solar cell at temperature 290K for stable operation with optimum performances. This study would provide valuable insights into design and optimization of nanotechnology-based solar energy technology for minimizing global energy crisis and developing eco-friendly energy sources sustainable and simultaneously.

Interface optimization and defects suppression via Na F introduction enable efficient flexible Sb_(2)Se_(3) thin-film solar cells

Sb_(2)Se_(3) with unique one-dimensional(1D) crystal structure exhibits exceptional deformation tolerance,demonstrating great application potential in flexible devices.However,the power conversion efficiency(PCE) of flexible Sb_(2)Se_(3) photovoltaic devices is temporarily limited by the complicated intrinsic defects and the undesirable contact interfaces.Herein,a high-quality Sb_(2)Se_(3) absorber layer with large crystal grains and benign [hkl] growth orientation can be first prepared on a Mo foil substrate.Then NaF intermediate layer is introduced between Mo and Sb_(2)Se_(3),which can further optimize the growth of Sb_(2)Se_(3)thin film.Moreover,positive Na ion diffusion enables it to dramatically lower barrier height at the back contact interface and passivate harmful defects at both bulk and heterojunction.As a result,the champion substrate structured Mo-foil/Mo/NaF/Sb_(2)Se_(3)/CdS/ITO/Ag flexible thin-film solar cell delivers an obviously higher efficiency of 8.03% and a record open-circuit voltage(V_(OC)) of 0.492 V.This flexible Sb_(2)Se_(3) device also exhibits excellent stability and flexibility to stand large bending radius and multiple bending times,as well as superior weak light photo-response with derived efficiency of 12.60%.This work presents an effective strategy to enhance the flexible Sb_(2)Se_(3) device performance and expand its potential photovoltaic applications.

Design of periodic metal-insulator-metal waveguide back structures for the enhancement of light absorption in thin-film solar cells

To increase the absorption in a thin layer of absorbing material （amorphous silicon, a-Si）, a light trapping design is presented. The designed structure incorporates periodic metal-insulator-metal waveguides to enhance the optical path length of light within the solar cells. The new design can result in broadband optical absorption enhancement not only for transverse magnetic （TM）-polarized light, but also for transverse electric （TE）-polarized light. No plasmonic modes can be excited in TE-polarization, but because of the coupling into the a-Si planar waveguide guiding modes and the diffraction of light by the bottom periodic structures into higher diffraction orders, the total absorption in the active region is also increased. The results from rigorous coupled wave analysis show that the overall optical absorption in the active layer can be greatly enhanced by up to 40%. The designed structures presented in this paper can be integrated with back contact technology to potentially produce high-efficiency thin-film solar cell devices.

Improvement of the Open Circuit Voltage of CZTSe Thin-Film Solar Cells by Surface Sulfurization Using SnS

The objective of this study is to find an effective method to improve Voc without Jsc loss for Cu2ZnSnSe4 （CZTSe） thin film solar cells, which have been fabricated by the one step co-evaporation technique. Surface sulfurization of CZTSe thin films is carried out by using one technique that does not utilize toxic H2S gas; a sequential evaporation of SnS after CZTSe deposition and the annealing of CZTSe thin films in selenium vapor. A Cu2ZnSn（S, Se）4 （CZTSSe） thin layer is grown on the surface of the CZTSe thin film after the annealing. The conversion efficiency of the completed device is improved due to the enhancement of Voc, which could be attributed to the formation of a hole-recombination barrier at the surface or the passivation of the surface and grain boundary by S incorporation.

Enhanced efficiency of the Sb_(2)Se_(3)thin-film solar cell by the anode passivation using an organic small molecular of TCTA

Antimony selenide(Sb_(2)Se_(3))is an emerging solar cell material.Here,we demonstrate that an organic small molecule of 4,4',4''-tris(carbazol-9-yl)-triphenylamine(TCTA)can efficiently passivate the anode interface of the Sb_(2)Se_(3)solar cell.We fabricated the device by the vacuum thermal evaporation,and took ITO/TCTA(3.0 nm)/Sb_(2)Se_(3)(50 nm)/C60(5.0 nm)/Alq3(3.0 nm)/Al as the device architecture,where Alq3 is the tris(8-hydroxyquinolinato)aluminum.By introducing a TCTA layer,the open-circuit voltage is raised from 0.36 to 0.42 V,and the power conversion efficiency is significantly improved from 3.2%to 4.3%.The TCTA layer not only inhibits the chemical reaction between the ITO and Sb_(2)Se_(3)during the annealing process but it also blocks the electron diffusion from Sb_(2)Se_(3)to ITO anode.The enhanced performance is mainly attributed to the suppression of the charge recombination at the anode interface.

Numerical simulation of a triple-junction thin-film solar cell based on μc-Si_(1-x)Ge_x :H

In this paper, a-Si：H/a-SiGe：H/μc-SiGe：H triple-junction solar cell structure is proposed. By the analyses of mi- croelectronic and photonic structures （AMPS-1D） and our TRJ-F/TRJ-M/TRJ-B tunneling-recombination junction （TRJ） model, the most preferably combined bandgap for this structure is found to be 1.85 eV/1.50 eV/1.0 eV. Using more realistic material properties, optimized thickness combination is investigated. Along this direction, a-Si：H/a-SiGe：H/μc-SiGe：H triple cell with an initial efficiency of 12.09% （Voc = 2.03 V, FF = 0.69, Jsc = 8.63 mA/cm^2, area = 1 cm^2） is achieved in our laboratory.

Optimizing a Single-Absorption-Layer Thin-Film Solar Cell1 Model to Achieve 31% Efficiency

This research builds upon the authors’ previous work that introduced and modeled a novel Gallium-Arsenide, Emitterless, Back-surface Alternating Contact (GaAs-EBAC) thin-film solar cell to achieve >30% power conversion efficiency. Key design parameters are optimized under an Air-Mass (AM) 1.5 spectrum to improve performance and approach the 33.5% theoretical efficiency limit. A second optimization is performed under an AM0 spectrum to examine the cell’s potential for space applications. This research demonstrates the feasibility and potential of a new thin-film solar cell design for terrestrial and space applications. Results suggest that the straight-forward design may be an inexpensive alternative to multi-junction solar cells.

Double-layer indium doped zinc oxide for silicon thin-film solar cell prepared by ultrasonic spray pyrolysis

Indium doped zinc oxide （ZnO：In） thin films were prepared by ultrasonic spray pyrolysis on corning eagle 2000 glass substrate. 1 and 2 at.% indium doped single-layer ZnO：In thin films with different amounts of acetic acid added in the initial solution were fabricated. The 1 at.% indium doped single-layers have triangle grains. The 2 at.% indium doped single-layer with 0.18 acetic acid adding has the resistivity of 6.82 × 10^-3 Ω. cm and particle grains. The doublelayers structure is designed to fabricate the ZnO：In thin film with low resistivity （2.58 × 10^-3 Ω. cm） and good surface morphology. It is found that the surface morphology of the double-layer ZnO：In film strongly depends on the substratelayer, and the second-layer plays a large part in the resistivity of the doublewlayer ZnO：In thin film. Both total and direct transmittances of the double-layer ZnO：In film are above 80% in the visible light region. Single junction a-Si：H solar cell based on the double-layer ZnO：In as front electrode is also investigated.

β-FeSi_2 as the bottom absorber of triple-junction thin-film solar cells: A numerical study

Using β-FeSi2 as the bottom absorber of triple-junction thin-film solar cells is investigated by a numerical method for widening the long-wave spectral response. The presented results show that the β-FeSi2 subcell can contribute 0.273 V of open-circuit voltage to the a-Si/μc-Si/β-FeSi2 triple-junction thin-film solar cell. The optimized absorber thicknesses for a- Si, μ-Si, and/3-FeSi2 subcells are 260 nm, 900 nm, and 40 nm, respectively. In addition, the temperature coefficient of the conversion efficiency of the a-Si/μc-Si//3-FeSi2 cell is -0.308 %/K, whose absolute value is only greater than that of the a-Si subcell. This result indicates that the a-Si/μc-Si/β-FeSi2 triple-junction solar cell has a good temperature coefficient. As a result, using β-FeSi2 as the bottom absorber can improve the thin-film solar cell performance, and the a-Si/μc-Si/β-FeSi2 triple-junction solar cell is a promising structure configuration for improving the solar cell efficiency.

Non-ionizing energy loss calculations for modeling electron-induced degradation of Cu(In,Ga)Se_2 thin-film solar cells

The lowest energies which make Cu,In,Ga,and Se atoms composing Cu（In,Ga）Se_2（CIGS） material displaced from their lattice sites are evaluated,respectively.The non-ionizing energy loss（NIEL） for electron in CIGS material is calculated analytically using the Mott differential cross section.The relation of the introduction rate（k） of the recombination centers to NIEL is modified,then the values of k at different electron energies are calculated.Degradation modeling of CIGS thin-film solar cells irradiated with various-energy electrons is performed according to the characterization of solar cells and the recombination centers.The validity of the modeling approach is verified by comparison with the experimental data.

Back contact interfacial modification mechanism in highly-efficient antimony selenide thin-film solar cells

Antimony selenide(Sb_(2)Se_(3))is a potential photovoltaic(PV)material for next-generation solar cells and has achieved great development in the last several years.The properties of Sb_(2)Se_(3)absorber and back contact influence the PV performances of Sb_(2)Se_(3)solar cells.Hence,optimization of back contact characteristics and absorber orientation are crucial steps in raising the power conversion efficiency(PCE)of Sb_(2)Se_(3)solar cells.In this work,MoO2was introduced as an intermediate layer(IL)in Sb_(2)Se_(3)solar cells,and comparative investigations were conducted.The growth of(211)-oriented Sb_(2)Se_(3)with large grains was facilitated by introducing the MoO2IL with suitable thickness.The MoO2IL substantially lowered the back contact barrier and prevented the formation of voids at the back contact,which reduced the thickness of the MoSe2interface layer,inhibited carrier recombination,and minimized bulk and interfacial defects in devices.Subsequently,significant optimization enhanced the open-circuit voltage(VOC)of solar cells from 0.481 V to 0.487 V,short-circuit current density(JSC)from 23.81 m A/cm^(2)to 29.29 m A/cm^(2),and fill factor from 50.28%to 57.10%,which boosted the PCE from 5.75%to 8.14%.

Molecular Structure Tailoring of Organic Spacers for High‑Performance Ruddlesden–Popper Perovskite Solar Cells

Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)technology.However,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic performance.Fortunately,these issues can be readily resolved by rationally designing spacer cations of RPPs.This review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic applications.We firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of RPPs.Then we brought three aspects to attention for designing organic spacers.Finally,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP PSCs.These proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications.

An Unprecedented Efficiency with Approaching 21%Enabled by Additive‑Assisted Layer‑by‑Layer Processing in Organic Solar Cells

Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network active layer morphology,featuring a bulk p-in structure and proper vertical segregation achieved through additive-assisted layer-by-layer deposition.This optimized hierarchical gradient fibrillar morphology and optical management synergistically facilitates exciton diffusion,reduces recombination losses,and enhances light capture capability.This approach not only offers a solution to achieving high-efficiency devices but also demonstrates the potential for commercial applications of OSCs.

Investigation of Ag(Ga,In)Se_(2)as thin-film solar cell absorbers:A first-principles study

Using first-principles calculations,the structural,electronic,and defect properties of AgInSe_(2)(AIS),AgGaSe_(2)(AGS),and their alloys(AIGS)are systematically studied and compared with their Cu counterparts as potential candidates for thin-film solar cell absorbers.The bandgap energies of AIS(1.24 eV)and AGS(1.84 eV)are larger than their Cu counterparts,despite their larger lattice parameters.According to the Shockley-Queisser theory,AIS or AIGS could be more suitable for solar-cell-absorber materials than their Cu counterparts.However,after investigating the band structures and intrinsic defect properties of AIS and AGS,we find that,(i)AIS and AGS have large negative crystal field splitting,thus low density of states near the valence band maximum(VBM);(ii)similar to the Cu counterparts,Ag vacancy(V_(Ag))is the main hole-carrier provider,while In_(Ag)(or Ga_(Ag))serves as the hole-carrier killer in p-type AIS(or AGS).However,because the positions of theVBM and conduction band minimum of AIS(or AGS)are lower than those of Cu In Se_(2)(CIS)[or Cu Ga Se_(2)(CGS)],the compensation of the p-type doping in AIS(or AGS)is more severe.Thus,the p-type doping of AIS(or AIGS)is more difficult than that of CIS(or CIGS),which is consistent with the doping limit rule.To improve the p-type doping of the AIS(or AIGS)as the solar-cell absorber,thus,improve the power conversion efficiency(PCE),the Ag-rich/(In,Ga)-poor/Se-rich growth condition is preferred.Alloy engineering of AIS with AGS can enhance the PCE because it can tune the bandgap energy of the absorber and band alignment at the absorber/buffer interface.More importantly,we suggest that for AIS(or AIGS)solar cell,the traditional buffer material of Cd S is not suitable anymore due to the large conduction band offset between AIS and Cd S.A new buffer layer material with a lower conduction band edge is necessary for better electron transport in AIS(or AIGS)solar cell.

First-principles study of defect control in thin-film solar cell materials

A solar cell is a photovoltaic device that converts solar radiation energy to electrical energy, which plays a leading role in alleviating global energy shortages and decreasing air pollution levels typical of conventional fossil fuels. To render solar cells more efficient, high visible-light absorption rates and excellent carrier transport properties are required to generate high carrier levels and high output voltage. Hence, the core material, i.e., the absorption layer, should have an appropriate direct band gap and be effectively doped by both p-and n-types with minimal carrier traps and recombination centers. Consequently, defect properties of absorbers are critical in determining solar cell efficiency. In this work, we review recent first-principles studies of defect properties and engineering in four representative thin-film solar cells, namely CdTe, Cu(In,Ga)Se2, Cu2ZnSnS4, and halide perovskites. The focal points include basic electronic and defect properties, existing problems, and possible solutions in engineering defect properties of those materials to optimize solar cell efficiency.

A process study of high-quality Zn(O,S)thin-film fabrication for thin-film solar cells

The Zn(O,S)thin film is considered a most promising candidate for a cadmium-free buffer layer of the Cu(In,Ga)Se_(2)(CIGS)thin-film solar cell due to its advantages of optical responses in the short-wavelength region and adjustable bandgap.In this paper,the thin-film growth mechanism and process optimization of Zn(O,S)films fabricated using the chemical bath deposition method are sys-tematically investigated.The thickness and quality of Zn(O,S)films were found to be strongly affected by the concentration variation of the precursor chemicals.It was also revealed that different surface morphologies of Zn(O,S)films would appear if the reaction time were changed and,subsequently,the optimum reaction time was defined.The film-growth curve suggested that the growth rate varied linearly with the deposition temperature and some defects appeared when the temperature was too high.In addition,to further improve the film quality,an effective post-treatment approach was proposed and the experimental results showed that the microstructure of the Zn(O,S)thin film was improved by an ammonia etching process followed by an annealing process.For com-parison purposes,both Zn(O,S)-based and CdS-based devices were fabricated and characterized.The device with a Zn(O,S)-CIGS solar cell after post-treatment showed near conversion efficiency comparable to that of the device with the CdS-CIGS cell.

H-and J-aggregation of conjugated small molecules in organic solar cells

As H-and J-aggregation receive more and more attention in the research of organic solar cells(OSCs),especially in small molecular systems,deep understanding of aggregation behavior is needed to guide the design of conjugated small molecular structure and the fabrication process of OSC device.For this end,this review is written.Here,the review firstly introduced the basic information about H-and J-aggregation of conjugated small molecules in OSCs.Then,the characteristics of H-and J-aggregation and the methods to identify them were summarized.Next,it reviewed the research progress of H-and J-aggregation of conjugated small molecules in OSCs,including the factors influencing H-and J-aggregation in thin film and the effects of H-and J-aggregation on OPV performance.

A short overview of the lead iodide residue impact and regulation strategies in perovskite solar cells

Lead iodide(PbI2) is a vital raw material for preparing perovskite solar cells(PSCs),and it not only takes part in forming the light absorption layer but also remains in the grain boundary as a passivator.In other words,the PbI2 content in the precursor and as formed film will affect the efficiency and stability of the PSCs.With moderate residual PbI2,it passivates the bulk/surface defects of perovskite,reduces the interfacial recombination,promotes the perovskite stability,minimizes the device hysteresis,and so on.Deficient PbI2 residue will reduce the interfacial passivation effect and device performance.In addition to facilitating the non-radiative recombination,over PbI2 residue can also lead to electronic insulation in the grain boundary and deteriorate the device performance.However,the impact and regulation of PbI2 residue on the device performance and stability is still not fully understood.Herein,a comprehensive and detailed review is presented by discussing the PbI2 residue impact and its regulation strategies(i.e., elimination,facilitation and conversion of the residue PbI2) to manipulate the PbI2 content,distribution and forms.Finally,we also show future outlooks in this field,with an aim to help further the progression of high-efficiency and stable PSCs.

High performance wide bandgap perovskite solar cell with low V_(OC) deficit less than 0.4 V

Wide bandgap perovskite solar cells(PSCs)have attracted significant attention because they can be applied to the top cells of tandem solar cells.However,high open-circuit voltage(V_(OC))deficit(>0.4 V)result from poor crystallization and high non-radiative recombination losses become a serious limitation in the pursuit of high performance.Here,the relevance between different Pbl_(2)proportions and performance parameters are revealed through analysis of surface morphology,residual stress,and photostability.The increase of Pbl_(2)proportion promotes crystal growth and reduces the work function of the perovskite film surface and promotes the energy level alignment with the carrier transport layer,which decreased the V_(OC)deficit.However,residual PbI_(2)exacerbated the stress level of perovskite film,and the resulting lattice disorder deteriorated the photostability of the device.Ultimately,after the synergistic passivation of residual PbI_(2)and PEAI,the V_(OC)achieves 1.266 V and V_(OC)deficit is less than 0.4 V,the record value in wide bandgap PSCs.

Boosting MA-based two-dimensional Ruddlesden-Popper perovskite solar cells by incorporating a binary spacer

Two-dimensional Ruddlesden-Popper(2DRP)perovskite exhibits excellent stability in perovskite solar cells(PSCs)due to introducing hydrophobic long-chain organic spacers.However,the poor charge transporting property of bulky organic cation spacers limits the performance of 2DRP PSCs.Inspired by the Asite cation alloying strategy in 3D perovskites,2DRP perovskites with a binary spacer can promote charge transporting compared to the unary spacer counterparts.Herein,the superior MA-based 2DRP perovskite films with a binary spacer,including 3-guanidinopropanoic acid(GPA)and 4-fluorophenethylamine(FPEA)are realized.These films(GPA_(0.85)FPEA_(0.15))_(2)MA_(4)Pb_5I_(16)show good morphology,large grain size,decreased trap state density,and preferential orientation of the as-prepared film.Accordingly,the present 2DRP-based PSC with the binary spacer achieves a remarkable efficiency of 18.37%with a V_(OC)of1.15 V,a J_(SC)of 20.13 mA cm^(-2),and an FF of 79.23%.To our knowledge,the PCE value should be the highest for binary spacer MA-based 2DRP(n≤5)PSCs to date.Importantly,owing to the hydrophobic fluorine group of FPEA and the enhanced interlayer interaction by FPEA,the unencapsulated 2DRP PSCs based on binary spacers exhibit much excellent humidity stability and thermal stability than the unary spacer counterparts.