有机太阳能电池电学模型与数值研究
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摘要
与无机太阳能电池相比,有机太阳能电池具有易加工、制作温度低并能制作大面积的柔性器件的优点,其结构也由单一的双层结构发展到混合体异质结有机太阳能电池和叠层有机太阳能电池。实验上,人们已经做了大量的研究,而在理论研究中,虽然对有机太阳能电池做了部分的研究,然而与实验上取得的成果相比,理论研究尚且不足,这将会制约有机太阳能电池性能的进一步提高。基于这点,本文主要做了以下各工作：
1.我们建立了单层有机太阳能电池的数值模型,针对电极接触类型为欧姆接触和肖特基接触,考虑了双分子复合,研究了载流子迁移率、带隙和激子内部的电子-空穴对距离对欧姆接触单层有机太阳能电池性能的影响,开路状态下电极功函数、激子产生率、有机层的最低未占据分子轨道能级(LUMO)、有机层的厚度和温度对肖特基接触下单层有机太阳能电池开路电压的影响,短路状态下载流子迁移率和温度对肖特基接触单层有机太阳能电池的短路电流的影响。研究发现：欧姆接触下自由电子和空穴的迁移率分别增加时可以提高短路电流密度,但对开路电压的影响较小。当自由电子和空穴的迁移率保持相等并且同步增大时,开路电压会保持稳定。肖特基接触下,减小阴极功函数可以在一定程度上增加开路电压和短路电流,载流子零电场迁移率较大时短路电流较大。温度在一定的范围内,温度升高时短路电流会增加,而开路电压却会减小
2.对于体异质结有机太阳能电池,我们研究了欧姆接触下电池的J-V特性,短路状态下电池的电势、电流密度、载流子浓度和复合率的分布,开路状态下施体材料和受体材料HOMO能级和LUMO能级、有效电压和温度对欧姆接触体异质结有机太阳能电池性能的影响。随后研究了摩尔混合比对体异质结有机太阳能电池的短路电流密度Jsc、开路电压Voc和填充因子FF的影响。研究发现,当摩尔混合比一定时,阴极功函数的减小可以提高Voc、Jsc和FF。
3.对于平面异质结有机太阳能电池,我们建立了开路状态下平面异质结有机太阳能电池的电学模型,研究了开路状态下受体层和阴极间的界面势垒、施体层厚度和受体层厚度对平面异质结有机太阳能电池内部载流子浓度、电场强度和电势分布的影响,短路状态下平面异质结有机太阳能电池载流子浓度、电场强度、电势分布和短路电流与光照强度、施体层和受体层的关系,以及该电池的J-V特性。研究发现：当阳极与施体的接触势垒△Φα和阴极与受体的接触势垒△Φc一定时,短路电流密度和载流子浓度随着光强的增大而增大；当受体层厚度一定时,施体层厚度的增加时,由于空穴浓度的增加和电场强度的减小使得短路电流密度随着施体层厚度的增加先增加后减小；当施体层厚度一定时,载流子浓度、电场强度和电势随着受体层厚度的增加而减小,因此,短路电流密度也随之减小。对于平面异质结有机太阳能电池的JV特性,外加偏压主要影响施体层和受体层界面处的界面电场,进而影响该界面处的载流子浓度,最终会影响该器件的电流密度。
Compared to inorganic solar cells, organic solar cells have attracted great attention due to their advantages, such as fabrication at low temperature, flexibility and low cost. Then the structure of the organic solar cell is developed from the single layer organic solar cell to the bulk-heterojunction organic solar cell. In experiment, a lot of the research is studied. However, the theory research has insufficient study compared to the experiment one. Therefore, it would be restricted to improve the performance of the organic solar cell. Based on this point, the following work has been done in this paper:
1. For the type of the contact at the electrode are the ohmic contact and the schottkey one, the numerical model is established for the single layer organic solar cell which is considered the bimolecular recombination. Then the research is studied the effect of carriers mobilities, the energy gap and the distance between the electron and the hole in the exciton on the performance of the device with the ohmic contact. With the schottkey contact, we also studied the effect of the electrode work function, the generation of the exciton, the LUMO energy of the organic layer, the thickness of the organic solar cell and the temperature on the open-circuit voltage, and the effect of the carriers mobilities and the temperature on the short-circuit current density. The concludes are those, Firstly, for the ohmic contact, the improvement of the mobilities of the free electron and the free hole will lead to the increase of the short-circuit current density. However, the improvement of the mobilities of the free electron and the free hole will have little effect on the open-circuit voltage. In order to keep stability to the open-circuit voltage, the mobilities of the free electron and the one of the free hole should be equal. Secondly, for the schottkey contact, both the open-circuit voltage and the short-circuit current are improvement with the decrease of the cathode work function. Thirdly, the short-circuit current is increased with the improvement of carriers mobilities with the same contacts. Finally, the short-circuit current is increased with the improvement of the temperature, however, the open-circuit voltage is decreased with the improvement of the temperature.
2. For the bulk-heterojunction organic solar cell, we studied the J-V characteristic, the distribution of the electric potential, the current density, the carrier density and the recombination rate on the condition of the short circuit, the effect of the HOMO energy and the LUMO energy of the donor and the acceptor, the effective voltage and the temperature on the performance of the device with the ohmic contact. Then we studied the effect of the mole mixture ratio on the short-circuit current density Jsc, the open-circuit voltage Voc and the fill factor FF. The conclude is that the Voc, Jsc and FF could be increased with the decrease of the cathode work function with a certain mole mixture ratio.
3. For the planar heterojunction organic solar cell, the electrical model is established which contains the effect of the energy barrier between the acceptor and the cathode, the thicknesses of the donor and the acceptor on the distribution of the carrier density, the electric field and the electric potential on the condition of the open circuit, the effect of the incident light intensity, the thicknesses of the donor and the acceptor on the distribution of the carrier density, the electric field, the electric potential, and the short-circuit current on the condition of the short circuit, and the characteristic of the J-V curve. Therefore, the concludes are those:for a given barrier between the anode and the donorΔΦ(?) and the given barrier between the cathode and the acceptorΔΦc, the short-circuit current density and the carrier density are increased with the light intensity. For a given thickness of the acceptor layer, the short-circuit current density first increases due to increased hole density and then decreased due to lowered electric field with the improvement of the thickness of the donor layer. For a given thickness of the donor layer, the carrier density, the electric field and the electric potential decrease with the improvement of the thickness of the acceptor layer, as a result, the short-circuit current density deceases with the increase of the thickness of the acceptor layer. For the characteristic of the J-V curve, the electric field of the interface between the donor layer and the acceptor layer is mainly influenced of the applied voltage, which is also influenced of the carrier density of the interface between the donor layer and the acceptor layer. As a result, those trends can be eventually influenced of the current density.
1.我们建立了单层有机太阳能电池的数值模型,针对电极接触类型为欧姆接触和肖特基接触,考虑了双分子复合,研究了载流子迁移率、带隙和激子内部的电子-空穴对距离对欧姆接触单层有机太阳能电池性能的影响,开路状态下电极功函数、激子产生率、有机层的最低未占据分子轨道能级(LUMO)、有机层的厚度和温度对肖特基接触下单层有机太阳能电池开路电压的影响,短路状态下载流子迁移率和温度对肖特基接触单层有机太阳能电池的短路电流的影响。研究发现：欧姆接触下自由电子和空穴的迁移率分别增加时可以提高短路电流密度,但对开路电压的影响较小。当自由电子和空穴的迁移率保持相等并且同步增大时,开路电压会保持稳定。肖特基接触下,减小阴极功函数可以在一定程度上增加开路电压和短路电流,载流子零电场迁移率较大时短路电流较大。温度在一定的范围内,温度升高时短路电流会增加,而开路电压却会减小
2.对于体异质结有机太阳能电池,我们研究了欧姆接触下电池的J-V特性,短路状态下电池的电势、电流密度、载流子浓度和复合率的分布,开路状态下施体材料和受体材料HOMO能级和LUMO能级、有效电压和温度对欧姆接触体异质结有机太阳能电池性能的影响。随后研究了摩尔混合比对体异质结有机太阳能电池的短路电流密度Jsc、开路电压Voc和填充因子FF的影响。研究发现,当摩尔混合比一定时,阴极功函数的减小可以提高Voc、Jsc和FF。
3.对于平面异质结有机太阳能电池,我们建立了开路状态下平面异质结有机太阳能电池的电学模型,研究了开路状态下受体层和阴极间的界面势垒、施体层厚度和受体层厚度对平面异质结有机太阳能电池内部载流子浓度、电场强度和电势分布的影响,短路状态下平面异质结有机太阳能电池载流子浓度、电场强度、电势分布和短路电流与光照强度、施体层和受体层的关系,以及该电池的J-V特性。研究发现：当阳极与施体的接触势垒△Φα和阴极与受体的接触势垒△Φc一定时,短路电流密度和载流子浓度随着光强的增大而增大；当受体层厚度一定时,施体层厚度的增加时,由于空穴浓度的增加和电场强度的减小使得短路电流密度随着施体层厚度的增加先增加后减小；当施体层厚度一定时,载流子浓度、电场强度和电势随着受体层厚度的增加而减小,因此,短路电流密度也随之减小。对于平面异质结有机太阳能电池的JV特性,外加偏压主要影响施体层和受体层界面处的界面电场,进而影响该界面处的载流子浓度,最终会影响该器件的电流密度。
Compared to inorganic solar cells, organic solar cells have attracted great attention due to their advantages, such as fabrication at low temperature, flexibility and low cost. Then the structure of the organic solar cell is developed from the single layer organic solar cell to the bulk-heterojunction organic solar cell. In experiment, a lot of the research is studied. However, the theory research has insufficient study compared to the experiment one. Therefore, it would be restricted to improve the performance of the organic solar cell. Based on this point, the following work has been done in this paper:
1. For the type of the contact at the electrode are the ohmic contact and the schottkey one, the numerical model is established for the single layer organic solar cell which is considered the bimolecular recombination. Then the research is studied the effect of carriers mobilities, the energy gap and the distance between the electron and the hole in the exciton on the performance of the device with the ohmic contact. With the schottkey contact, we also studied the effect of the electrode work function, the generation of the exciton, the LUMO energy of the organic layer, the thickness of the organic solar cell and the temperature on the open-circuit voltage, and the effect of the carriers mobilities and the temperature on the short-circuit current density. The concludes are those, Firstly, for the ohmic contact, the improvement of the mobilities of the free electron and the free hole will lead to the increase of the short-circuit current density. However, the improvement of the mobilities of the free electron and the free hole will have little effect on the open-circuit voltage. In order to keep stability to the open-circuit voltage, the mobilities of the free electron and the one of the free hole should be equal. Secondly, for the schottkey contact, both the open-circuit voltage and the short-circuit current are improvement with the decrease of the cathode work function. Thirdly, the short-circuit current is increased with the improvement of carriers mobilities with the same contacts. Finally, the short-circuit current is increased with the improvement of the temperature, however, the open-circuit voltage is decreased with the improvement of the temperature.
2. For the bulk-heterojunction organic solar cell, we studied the J-V characteristic, the distribution of the electric potential, the current density, the carrier density and the recombination rate on the condition of the short circuit, the effect of the HOMO energy and the LUMO energy of the donor and the acceptor, the effective voltage and the temperature on the performance of the device with the ohmic contact. Then we studied the effect of the mole mixture ratio on the short-circuit current density Jsc, the open-circuit voltage Voc and the fill factor FF. The conclude is that the Voc, Jsc and FF could be increased with the decrease of the cathode work function with a certain mole mixture ratio.
3. For the planar heterojunction organic solar cell, the electrical model is established which contains the effect of the energy barrier between the acceptor and the cathode, the thicknesses of the donor and the acceptor on the distribution of the carrier density, the electric field and the electric potential on the condition of the open circuit, the effect of the incident light intensity, the thicknesses of the donor and the acceptor on the distribution of the carrier density, the electric field, the electric potential, and the short-circuit current on the condition of the short circuit, and the characteristic of the J-V curve. Therefore, the concludes are those:for a given barrier between the anode and the donorΔΦ(?) and the given barrier between the cathode and the acceptorΔΦc, the short-circuit current density and the carrier density are increased with the light intensity. For a given thickness of the acceptor layer, the short-circuit current density first increases due to increased hole density and then decreased due to lowered electric field with the improvement of the thickness of the donor layer. For a given thickness of the donor layer, the carrier density, the electric field and the electric potential decrease with the improvement of the thickness of the acceptor layer, as a result, the short-circuit current density deceases with the increase of the thickness of the acceptor layer. For the characteristic of the J-V curve, the electric field of the interface between the donor layer and the acceptor layer is mainly influenced of the applied voltage, which is also influenced of the carrier density of the interface between the donor layer and the acceptor layer. As a result, those trends can be eventually influenced of the current density.
引文
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