First-principles study of interfacial features and charge dynamics between spiro-MeOTAD and photoactive lead halide perovskites

被引：6

作者：

Pecoraro, Adriana ^{[1
]}

Fasulo, Francesca ^{[2
]}

Pavone, Michele ^{[2
,3
]}

Munoz-Garcia, Ana B. ^{[1
,3
]}

机构：

[1] Univ Naples Federico II, Dept Phys E Pancini, Naples, Italy

[2] Univ Naples Federico II, Dept Chem Sci, Naples, Italy

[3] Natl Reference Ctr Electrochem Energy Storage GIS, Florence, Italy

来源：

CHEMICAL COMMUNICATIONS | 2023年 / 59卷 / 34期

关键词：

ELECTRON; INSIGHTS; IODIDE;

D O I：

10.1039/d3cc00960b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The main stability and performance issues of perovskite solar cells arise from the interfaces between the perovskite and the hole transport material. Here we address these interface issues by means of state-of-the-art first-principles calculations, providing new insights into charge transfer times and mechanisms and how they depend on the perovskite chemical composition and local interfacial environment.

引用

页码：5055 / 5058

页数：4

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