Perovskite güneş hücrelerinde elektron taşıma malzemeleri yapısının ve kompozisyonun SCAPS-1D simülasyon perspektifinden incelenmesi = Investigation of electron transport materials structure and composition in perovskite solar cells from SCAPS-1D simulation prospectus

Abstract

Güneş pili endüstrisi, çevre dostu ve düşük maliyetli elektrik üretim süreçleri nedeniyle, yenilenemeyen enerji kaynaklarının özellikle fosil yakıtların yerine, kullanımı her geçen gün artmaktadır. Bugün kullandığımız ve neredeyse %70'ine yakın enerji sağladığımız fosil yakıtlar her geçen gün tükenmekte, çevreye ve atmosfere ciddi sorunlar yaşatmaktadır. Nükleer santraller, kömür ve diğer geleneksel kaynaklar kullanılırken, atmosfer tabakası üzerindeki zararlı gazlar ve seraların etkisi küresel iklim değişikliğine yol açmaktadır. Bu sorunlar canlılar üzerinde farklı hastalıklara ve diğer doğa olaylarına neden olmaktadır. Son yıllarda, çevresel etkileri azaltmak amacıyla, güneş enerjisi gibi yenilenebilir enerji kaynaklarının kullanılmasını önermiştir. Bu nedenle, yenilenebilir kaynaklardan enerji üretimi nedeniyle güneş pillerinin kullanılması düşünülmüştür. Perovskit güneş pilleri, benzersiz özellikleri nedeniyle son yıllarda araştırmacılar tarafından fark edilen en verimli güneş pilleri arasındadır. Bu nedenle bu tez çalışmasında bu hücreler araştırılmaya çalışılmış ve simülasyon aşaması yardımıyla bu hücrelerin performansları ölçülmüş ve tahmin edilmiştir. Aynı zamanda bilinen farklı güneş pilleri arasındaki perovskit güneş pilleri ile yapılan araştırmalarda yüksek performansları ve düşük üretim maliyetleri sebebiyle hızlı bir büyüme yaşanmıştır. Perovskit güneş pilleri tipik olarak; emici, taşıyıcı katmanlar ve elektrotlar gibi bazı ana katmanlardan oluşur. Perovskit tabakası tarafından emilen ışık, electron ve boşlukların oluşumuna yol açar. Bu yük taşıyıcıları daha sonra elektron ve boşluk taşıma katmanları ile elektrotlara taşınır. Hücre yapısındaki küçük moleküller, polimerik ve inorganik HTL'ler gibi çeşitli HTL türleri vardır. Ayrıca bu farklı seçenekler, tek yapılı, tandem ve kompozit gibi çeşitli konfigürasyonlarda olabilir. Bu çalışmada, üç yaygın HTL tipi, Spiro- OMeTAD, P3HT ve Cu2O oluşturulmuş, bunların farklı kompozit, tandem ve tek formlardaki hücre performansı üzerindeki etkileri araştırılmış olup sonuçları karşılaştırılmıştır. Bu tip hücreler, her katman için çeşitli farklı malzemelere sahip farklı aktif katmanlar içerir, bu da perovskit güneş pillerinin farklı polimerik ve polimerik olmayan yapılarının oluşturulmasına izin verir. Bu hücrelerin araştırılması iki aşamada gerçekleştirilebilir: Simülasyon veya Deneysel. Perovskit güneş pillerinin yapılarında farklı polimerlerin rolüne odaklanan bu çalışmada, SCAPS-1D simülasyon programını kullanılarak bu güneş pillerinin performansı elde edilmiştir.

Human beings have always been in search of a continuous and continuous kind of energy from primitive times to the present day in order to survive. This quest has continued from fossil fuels to renewable energy sources. The most important feature of renewable energy sources is that they are friendly to the universe we live in and the environment, which is our living space, with the provision of recycling. The fossil fuels we use today, to which we provide almost 70% energy, are depleted day by day and cause serious problems to the environment and the atmosphere. While nuclear power plants, coal and other traditional resources are used, harmful gases and greenhouses effect on the atmospheric layer lead to global climate change. These problems cause different kinds of diseases and other natural phenomena on living creatures. Renewable energy source types are the opposite of traditional non-renewable energy types. In addition to receiving its important source from the sun, since there is almost no toxic gas released on living things and into the atmosphere, living things have turned to solar energy cells as an unlimited energy source for the continuity of their lives. First, solar cells, which started as photovoltaics, were rapidly stepped into renewable energy types by creating different modules by switching from single mono systems to polymer systems. Perovskite solar cells are among the most efficient solar cells noticed by researchers in recent years due to their unique properties. For this reason, in this thesis, these cells were tried to be investigated and the performance of these cells was measured and estimated with the help of the simulation stage. In the thesis, perovskite solar cells are fully introduced and the materials used in each layer of these cells are tried to be examined. In this section, we tried to address the challenges of selecting these materials based on the factors of efficiency, cost and environmental impact. The properties of the materials used in the layers of perovskite solar cells that fall into the corresponding simulation software are summarized. In addition, explanations of the simulation software and tools used in this research are presented and all aspects are investigated. The software for solar cell design in this research is SCAPS-1D software, which ensures the efficiency of the solar cell. Like the study of all other types of solar cells, the study of PSCs can be carried out in both the experimental and simulation phases. The simulation can give appropriate information about the effective parameters of developing a solar cell. It will help results in experimental stages. For example, with regard to the rapid optimization process that can be carried out in a solar cell simulation software, with the optimization of the thickness of a specific layer, experiments can be carried out around the optimized values obtained xxiv There are many tools for the simulation of solar cells, the most important of them are SCAPS-1D, SILVACO, AMPS-1D, COMSOL, GPVDM etc... The simulation tool used in this thesis is the SCAPS-1D software, which measures the performance of the cell. In addition, in this research, the cost indices and environmental effects of cells will be investigated. The SCAPS-1D software used in this research is the latest version of the software, an updated version in May 2020 (SCAPS version 3.8) In determining the performance of perovskite solar cells (including transport layers and adsorbent layers), many parameters such as the thickness of the layers, band gaps, electron search, dielectric constant are effective. However, in the electron and hole layers (electrodes), the working function of the desired electrode determines its performance. Simulation is a crucial technique for gaining in-depth knowledge of physical operation, the applicability of the proposed physical explanation, and the impact of physical changes on the performance of solar cell devices. There are certain criteria and these headings that are emphasized in the results and data analysis researches. Recombination graphs, performance grafixes, ETM, HTM thicknesses, ETM and perovskite additives, hot shunt resistors and reflective analyzes will help us to make the best analysis. The tier feature of PSCs took place in several stages, including point of work and configuration optimization. The results of the property optimization of the active layers, in relation to recombination problems, showed that it is better to choose a cell with relatively high absorbent thicknesses, low thicknesses of transport materials and low active layer doping densities. The effect of perovskite thickness variation has been investigated. For this section, the effect of perovskite thickness variation from 100 nm-1000 nm on photovoltaic parameters and recombination factor is given in diagrams of recombination paths at different absorbent thicknesses. The effect of ETM thickness variation has been investigated in the thickness range of 40 nm-14 0 nm. It is understood that increasing the thickness of the ETM has an overall negative impact on the performance of the PSC. This can be attributed to late transport between the absorber and pre-contact due to the wider distance. Considering the effect of HTM thickness. The thickness range of 50 nm-4 00 nm was chosen. light passes over the ETMs, but is absorbed by the perovskite layer before reaching the HTM layer. Therefore, electron hole formation is not affected by the variation of HTM thickness. Increasing the doping intensity of the absorbent layer helps to produce more load carriers. However, it also leads to more load recombination after a threshold value. The effect of the doping variation on ETM was investigated in the range of 10, 15-10, 22, 1/cm3. It is seen that each of the structures exhibits different behaviors from the others. Therefore, we can not find a specific behavior for them. But there may be different reasons for this uncertainty. It may be due to SCAPS-1D calculation error at some specific doping intensities. Regarding the concept that HTM is not required to be transparent, higher values of the doping intensity can lead to better transport of the holes to metal contact. The results of the HTM doping intensity change in the range of 10 15-10 22 1/cm3 confirm this point. The temperature of solar cells is one of the important conditions that must be properly calibrated. Its optimization can help to conduct experimental studies in more favorable situations. In this case, it seems that the simulation process can be used well. Therefore, in the current case, we have chosen the temperature range of 300-400 K to find an optimal temperature. Sand shunt resistance represent the resistance of a cell to manufacturing and recombination processes, respectively. It is clear that the low and high values will be the optimum quantities for the series and shunt resistors, respectively. However, in this case, the effect of series resistance has been investigated in the range of 0.1-1 Ω.cm2. Higherxxv shunt resistance values are analyzed for a solar cell. As the shunt resistance increases, the cell will move closer to the ideal solar cell with infinite shunt resistance. To confirm this concept, we considered a relatively large data range of 10 2-10 5 Ω.cm2 for the investigation of the shunt resistance effect. The configuration and number of layers in the PSC structure can significantly affect the performance of the cell. Each active layer of a PSC can be configured in single, tandem or composite forms. So far, one or two of the investigated parts of this study have been carried out in single configurations of active layers. That is, only one material was used for each of the active layers. However, in some cases, more than one material can be used for each layer. As a summary of previous research for the PSC structure, it appears that single FASnI3 configurations for perovskite, tandem arrangement for ETC, and composite structure for HTM reveal optimum efficiency for each situation. Therefore, all of them were transferred to the data that was analyzed in a single simulation as the final step. Based on these results, it is seen that all optimization steps, including layer feature, operating points, and configuration optimizations, have a positive impact on the overall performance of the PSCs, which are considered to be the baseline. Total productivity increased by about 1%. The area under the I-V curve of a solar cell represents its performance. From the given I-V charts, it is clear that this area is increasing with the further advancement of optimization processes. This confirms the total positive process of the current study. Some theoretical research around the simulation of perovskite solar cells using the SCAPS-1D simulation package is presented. Regarding the wide variety of structures that can be created of perovskite solar cells, this work was based on the selection of suitable PSCs among the proposed structures. These 8 different MA-based and FA- based absorbents were considered. Furthermore, some organic and inorganic materials, including TiO 2, ZnO and PCBM as ETCs and CuSCN, PEDOT: PSS and Spiro-OMeTAD as ETCs, are thought to form 72 unique PSC structures. Of these PSCs, 5 structures were selected as good data (efficiency over 20%) for further investigation. For this, the optimization of the mentioned good data structures was carried out on the basis of the appropriate layer feature, point of operation and configuration selection. The available results have been successfully completed.