Numerical investigation of energy level strategy for TMO/Si tunneling heterojunction solar cells

IF 2.5 4区工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Journal of Computational Electronics Pub Date : 2024-02-02 DOI:10.1007/s10825-024-02128-x

Zhongliang Gao, GuiJia Feng, Hui Zhou, Li Ding

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Abstract

A thin film of transition metal oxide (TMO) layer forms a heterojunction configuration with silicon (Si) via dopant-free fabrication process. However, excellent hole selective contact performance of TMO/n-Si heterojunction necessitates a stringent alignment of energy levels. Herein, we studied the level matching strategy of TMO/n-Si heterojunction with four parameters including conduction band (E_C), bandgap (E_g), Fermi level (E_F) and interface trap concentration (N_t). It is found that the electron affinity (E_a) of TMO determines the relative position of the energy level, and increasing the E_a can increase the open-circuit voltage (V_OC) from 426.0 to 742.5 mV. In addition, the energy level bending of the interface can be adjusted by the relative E_F position of TMO and n-Si to improve the carrier separation efficiency to increase the short-circuit current density (J_SC). Meanwhile, the higher N_t is beneficial to the carrier tunneling transport in the case of E_C of TMO being smaller than that of n-Si, which enhances the energy level bending of the interface and improves the solar cells performance. Finally, the MoO_x/n-Si heterojunction solar cell is optimized to obtained the power conversion efficiency (PCE) of 21.87%.

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TMO/Si 隧道异质结太阳能电池能级策略的数值研究

过渡金属氧化物（TMO）薄膜层通过无掺杂剂制造工艺与硅（Si）形成异质结。然而，要使 TMO/n-Si 异质结具有优异的空穴选择性接触性能，就必须严格对齐能级。在此，我们研究了导带（EC）、带隙（Eg）、费米级（EF）和界面阱浓度（Nt）等四个参数对 TMO/n-Si 异质结的能级匹配策略。研究发现，TMO 的电子亲和力（Ea）决定了能级的相对位置，提高 Ea 可以将开路电压（VOC）从 426.0 mV 提高到 742.5 mV。此外，还可以通过 TMO 和 n-Si 的相对 EF 位置来调整界面的能级弯曲，从而提高载流子分离效率，增加短路电流密度（JSC）。同时，在 TMO 的导电率小于 n-Si 的导电率时，较高的 Nt 有利于载流子的隧道传输，从而增强了界面的能级弯曲，提高了太阳能电池的性能。最后，经过优化的 MoOx/n-Si 异质结太阳能电池的功率转换效率（PCE）达到了 21.87%。

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来源期刊

Journal of Computational Electronics ENGINEERING, ELECTRICAL & ELECTRONIC-PHYSICS, APPLIED

CiteScore

4.50

自引率

4.80%

发文量

142

审稿时长

>12 weeks

期刊介绍： he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered. In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.