Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body
Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body
复制标题
DOI：
10.1021/jp507430x
复制
发表时间：
2014-10-30
影响因子：
3.7
通讯作者：
Mattoni, Alessandro
中科院分区：
文献类型：
--
作者：
Filippetti, Alessio;Delugas, Pietro;Mattoni, Alessandro
基于量子化学从头计算的辐射复合率和少数载流子寿命，解释了碘化铅钙钛矿复合材料作为吸收体在太阳能电池中的优异光电转换性能，其能量转换效率超过15%。在室温下，当n的掺杂浓度为10（15）cm（-3）时，得到了近似于（0.51.5）× 10（-9）s（-1）cm（-3）的B-rad和近似于103 ns的少数寿命。这些值与典型的光电半导体（例如，GaAs），反映了钙钛矿的本质：由于其混合性质而完全可溶液加工，并且在光转换特性方面是真正的无机半导体。结晶速率也用于定量描述这些系统可能实现的功率转换效率的最大极限，例如，对于200 nm厚的钙钛矿膜为21%，对于300 nm厚的钙钛矿膜为23%。
The excellent photoconversion properties of lead iodide hybrid perovskites, used as absorber in solar cell devices with power conversion efficiencies exceeding 15%, are explained on the basis of ab initio calculated radiative recombination rates and minority carrier lifetimes. B-rad similar to (0.51.5) x 10(-9) s(-1) cm(-3) and minority lifetime similar to 103 ns were obtained for a doping concentration of n similar to 10(15) cm(-3) at room temperature. These values, comparable to those of typical optoelectronic semiconductors (e.g., GaAs), reflect the very nature of the perovskite: fully solution-processable owing to its hybrid nature, and yet a truly inorganic semiconductor for with regard to photoconversion properties. Recombination rates are also used to quantitatively describe the maximum limit of power conversion efficiency potentially achievable by these systems, for example, 21% for a 200 nm thick perovskite film and 23% for a 300 nm thickness.