International Journal of Energetica (IJECA) https://www.ijeca.info ISSN: 2543-3717 Volume 4. Issue 1. 2019 Page 56-59 IJECA-ISSN: 2543-3717. June 2019 Page 56 Simulation and optimization of CH3NH3PbI3 based inverted planar heterojunction solar cell using SCAPS software Abdelkader Hima 1* , Ahmed Khalil Le Khouimes 1 , Abdallah Rezzoug 1 , Mouslem Ben Yahkem 1 , Abderrahmane Khechekhouche 2 , Imad Kemerchou 3 1 Faculty of Technology, Univ. El-Oued, El oued 39000, ALGERIA 2 UDERZA Unit, University of El Oued, 39000 El Oued, ALGERIA 3 Laboratory of Analysis and Control of Energy Systems and Networks, University of Laghouat, ALGERIA Email*: himaaek@yahoo.fr Abstract – In order to improve the efficiency of a planar heterojunction organic-inorganic solar cell, this work is carried out using SCAPS software. The studied inverted P-I-N structure is PEDOT:PSS/ CH3NH3PbI3/ PCBM where PEDOT:PSS is the hole transporting layer (HTL), CH3NH3PbI3 is the Perovskite absorber layer (PVK) and PCBM is the electron transporting layer (ETL). The simulated structure is sandwiched between SnO2: FTO and Al which are the transparent and aluminum electrodes respectively. Simulation efforts are focused on thickness and density of states (donor’s and acceptors) effect on solar cell efficiency. Found results improved the power conversion efficiency (PCE) from 11.73% up to 19.58 %. Keywords: Perovskite, CH3NH3PbI3, SCAPS, power conversion efficiency, layer thickness Received: 15/05/2019 – Accepted: 27/06/2019 I. Introduction From 2009 up to 2016, perovskite based solar cell efficiency stepped from 3.8 % to 22.1% [1-3]. This exponential development of perovskite based solar cell efficiency encouraged researchers to use deferent processing methods to enhance it. Due to experiment high costs, a simulation effort is a good way to calculate the better parameters prior to do experiments [4-6]. In this work we investigated effect of different layer thickness and density of states on power conversion efficiency of a P-I-N inverted planar heterojunction solar cell using the organic/inorganic perovskite material CH3NH3PbI3 as absorber layer. II. Device simulation parameters Figure 1 shows deferent layer deposition of the simulated P-I-N inverted planar heterojunction CH3NH3PbI3 based solar sell. We can see in Figure 1 the SnO2: FTO/ PEDOT: PSS/ CH3NH3PbI3 / PCBM where the ETM layer is the PCBM and the HTM layer is the PEDOT:PSS. In Table 1 is presented initial simulation electrical parameters that were carefully selected from practical and theoretical references [7-17]. Firstly, layer thickness is investigated to carry out the best thickness giving higher PCE. Secondly, density of states is investigated to find out better values that yeld high PCE. Figure 1. Planar heterojunction architecture of the studied solar cell. Abder Image placée Abdelkader Hima et al IJECA-ISSN: 2543-3717. June 2019 Page 57 III. Results and discussion In simulation process, the thickness of each layer was fixed in the initial values presented in table 1, then we changed the HTL thickness from 0.05 µm to 0.08 µm after that the PVK thickness is changed from 0.3 µm to 0.9 µm and in the last step the ETL thickness is modified from 0.3 to 0.6 µm. In each step we fix the thickness value that gives better PCE and use it in the next step. Table 1. Simulation parameters Figure 2 presents layer thickness effect on PCE for every layer. It is found that the maximal value for PCE is 10.85 % which corresponds on 0.05 µm, 0.3 µm and 0.3 µm layer thickness for HTL, PVK and ETL respectively. Figure 2. Effect of a) HTL, b) PVK and c) ETL layer thickness on PCE The Simulation results for initial and optimized results are presented in Table 2. Table 2. Simulation results for initial and optimized values Voc (V) Jcs(mA/cm2) FF(%) PCE(%) Init Val 1.4 18.4 44.81 11.73 Opt Val 1.5 17.7 75.9 19.57 In the Figure 3 is illustrated the effect of Na of the HTL and PVK layer and Nd of the ETL layer on PCE. It is clear from curves of Figure 3 that best values that gives a PCE of 19.57 % are Na=5.10 16 cm -3 , Na=5.10 16 cm -3 and Nd = 5.10 16 cm -3 for HTL, PVK and ETL respectively. Layer Property PEDOT/Pss CH3NH3PbI3 PCBM Thickness (μm) 0.080 0.8 0.5 Band gap (eV) 2.2 1.55 2.100 Electron affinity (eV) 2.9 3.75 3.9 Dielectric affinity 3.000 6.500 3.900 CB effective density of states (cm-3) 2.200E+15 2.200E+15 2.200E+19 VB effective density of states (cm-3) 1.800E+18 2.200E+17 2.200E+19 Electron thermal velocity (cm/s) 1.00E+7 1.00E+7 1.00E+7 Hole thermal velocity (cm/s) 1.00E+7 1.00E+7 1.00E+7 Electron mobility (cm2 / V.s.) 0.01 2.0 0.001 Hole mobility (cm2/ V.s.) 0.0002 2.0 0.002 Donor density Nd (cm-3) 1.000E+13 1.000E+13 1.000E+16 Acceptor density Na (cm-3) 1.000E+16 1.000E+16 1.000E+13 Defect Nt (cm-3) 1.000E+15 1.000E+15 1.000E+15 P C E ( % ) Figure 2 a. HTL Layer thickness (µm) a) P C E ( % ) Figure 2 b. PVK Layer thickness (µm) b) P C E ( % ) Figure 2 c. ETL Layer thickness (µm) c) Abdelkader Hima et al IJECA-ISSN: 2543-3717. June 2019 Page 58 Figure 3.a Figure 3.b Figure 3.c Figure 3. Effect of acceptor density of a) HTL, b) PVK and donor density of c) ETL on PCE. IV. Conclusion In this paper it is found that layer thickness and density of states of a P-I-N perovskite based solar cell have an important effect on PCE. Simulations done using SCAPS software have optimized the PCE of the studied structure to 19.57 % with the layer thickness values of 0.05 µm, 0.3 µm and 0.3 µm for HTL, PVK and ETL respectively, and the values of Na=5.10 16 cm -3 , Na=5.10 16 cm -3 and Nd = 5.10 16 cm -3 for HTL, PVK and ETL respectively. References [1] A. Kojima, K. Teshima, Y. Shirai, T. Miyasaka, Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. Journal of the American Chemical Society, 2009. 131(17) pp. 6050-6051. [2] T. Oku, A. Takeda, A. Nagata, H. Kidowaki, K. Kumada, K. Fujimoto, A. Suzuki, T. Akiyama, Y. Yamasaki, E. 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Applied Physics Letters, 2014. 104(25) pp. 253508. [16] H. J. Du, W. C. Wang, J. Z. Zhu, Device simulation of lead-free CH3NH3SnI3 perovskite solar cells with high efficiency. Chin. Phys. B, 2016. 25(10) pp. 108802-108802. [17] J.M. Ball, S.D. Stranks, M.T. Hörantner, S. Hüttner, W. Zhang, E.J. Crossland, I. Ramirez, M. Riede, M.B. Johnston, R.H. Friend, H.J. Snaith, Optical properties and limiting photocurrent of thin-film perovskite solar cells. Energy & Environmental Science, 2015. 8(2) pp. 602-609. I. Introduction II. Device simulation parameters III. Results and discussion IV. Conclusion References