Graphene quantum dots (GQD) and edge-functionalized GQDs as hole transport materials in perovskite solar cells for producing renewable energy: a DFT and TD-DFT study

被引：2

作者：

Kumar, Anjan ^{[1
]}

Sayyed, M. I. ^{[2
,3
]}

Punina, Diego ^{[4
]}

Naranjo, Eugenia ^{[5
]}

Jacome, Edwin ^{[6
]}

Abdulameer, Maha Khalid ^{[7
]}

Albazoni, Hamza Jasim ^{[8
]}

Shariatinia, Zahra ^{[9
]}

机构：

[1] GLA Univ, Dept Elect & Commun Engn, Mathura 281406, India

[2] Isra Univ, Fac Sci, Dept Phys, Amman 11622, Jordan

[3] Imam Abdulrahman bin Faisal Univ IAU, Inst Res & Med Consultat IRMC, Dept Nucl Med Res, POB 1982, Dammam 31441, Saudi Arabia

[4] Univ Tecn Estatal Quevedo UTEQ, Fac Ciencias Ingn, Carrera Ingn Mecan, Quevedo, Ecuador

[5] Escuela Super Politecn Chimborazo ESPOCH, Fac Mecan, Riobamba 060155, Ecuador

[6] Escuela Super Politecn Chimborazo ESPOCH, Fac Mecan, Riobamba 060155, Ecuador

[7] Al Noor Univ Coll, Dept Radiol & Sonar Tech, Nineveh, Iraq

[8] Natl Univ Sci & Technol, Coll Nursing, Dhi Qar, Iraq

[9] Amirkabir Univ Technol, Dept Chem, Tehran Polytech, POB 15875-4413, Tehran, Iran

来源：

RSC ADVANCES | 2023年 / 13卷 / 42期

关键词：

PHOTOCATALYST; DERIVATIVES;

D O I：

10.1039/d3ra05438a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs). The criteria for appropriate HTMs were evaluated, including solubility, hole mobility, light harvesting efficiency (LHE), exciton binding energy (Eb), hole reorganization energy (lambda h), hole mobility, and HTM performance. It was found that several of the compounds had higher hole mobility than Spiro-OMeTAD, a commonly used HTM in PSCs. The open circuit voltage and fill factor of the suitable GQD and GQD-3Xs were found to be within appropriate ranges for HTM performance in MAPbI3 PSCs. GQD-COOH and GQD-COOCH3 were identified as the most suitable HTMs due to their high solubility, small lambda h, and appropriate performance. This study investigated the potential suitability of graphene quantum dots (GQD) and certain edge-functionalized GQDs (GQD-3Xs) as hole transport materials (HTMs) in perovskite solar cells (PSCs).

引用

页码：29163 / 29173

页数：11

共 26 条

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