Theoretical Modelling as a tool for improved performance of Cadmium Telluride Solar Cells.

理论建模作为提高碲化镉太阳能电池性能的工具。

• 批准号: 2456698
• 金额: --
• 依托单位: Loughborough University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2456698
• 关键词: Theoretical; Modelling; tool; improved; performance

CdTe solar cells have reached 22.1% conversion efficiency for laboratory solar cells and over 18% for full scale PV modules. In order to increase efficiency beyond 25% toward the theoretical limit of 32% further advancements are needed. Recently, Group V elements (As, P) have been shown to provide about two orders higher carrier densities when introduced in-situ to CdTe. The aim of the project is to investigate theoretically using Density Functional Theory Methods the effect of dopants on the structural and electronic properties of the cells including the effect of grain boundaries. The conditions under which the films can be best grown will be investigated by fitting interatomic potentials to the DFT data and using saddle point searching algorithms and long time scale dynamics methods to model film growth over realistic time scales.The work will be done in close collaboration with experimental work carried out in CREST at Loughborough University, thus working towards a pathway to 25% efficient CdTe solar cells.

CdTe 太阳能电池的实验室太阳能电池转换效率达到 22.1%，全尺寸光伏组件转换效率超过 18%。为了将效率提高到 25% 以上，达到 32% 的理论极限，需要进一步改进。最近，V 族元素（As、P）已被证明在原位引入 CdTe 时可提供大约两个数量级的载流子密度。该项目的目的是使用密度泛函理论方法从理论上研究掺杂剂对电池结构和电子特性的影响，包括晶界的影响。将通过将原子间势拟合到 DFT 数据并使用鞍点搜索算法和长时间尺度动力学方法来模拟实际时间尺度上的薄膜生长来研究薄膜最佳生长的条件。这项工作将在密切合作下完成拉夫堡大学 CREST 进行的实验工作，致力于找到 25% 效率的 CdTe 太阳能电池的途径。