DataVXACS Energy LettersPaper
journal article·2023-01-13

Intermolecular Interactions of A-Site Cations Modulate Stability of 2D Metal Halide Perovskites

Edoardo Mosconi, Asma A. Alothman, Run Long, Waldemar Kaiser, Filippo De Angelis

ACS Energy Letters· Volume 8· Issue 1
Publisher page
Source abstract

Abstract

Controlling the chemical properties of A-site cations in 2D metal halide perovskites (MHPs) and in 2D/3D assemblies is key to stable and efficient optoelectronic devices. Here, we rationalize the chemical interactions of different classes of organic cations in 2D MHPs, which are responsible for material stability in 2D and 2D/3D heterojunctions. Our results emphasize potential enhancement in stability by hydrogen bonding within the organic framework, showing substantially stronger intermolecular interaction compared to aromatic π–π stacking and aliphatic chains. This observation may lead to the design of organic cations with enhanced intermolecular interactions for increased stability in MHP-based devices.
Source: openalex_inverted_index · Quality: baseline

Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · 2D Materials and Applications · ZnO doping and properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, 06123Perugia, Italy

Chemistry Department, College of Science, King Saud University, Riyadh11451, Kingdom of Saudi Arabia

College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing100875, People’s Republic of China

Department of Chemistry, Biology and Biotechnology, University of Perugia and UdR INSTM, Via Elce di Sotto 8, 06123Perugia, Italy

Funding

Natural Science Foundation of Beijing Municipality · Consiglio Nazionale delle Ricerche · King Saud University

References (43)

Show source-provided references
1. 10.1038/s41586-021-03964-810.1038/s41586-021-03964-8 ↗
2. 10.1039/D1EE00493J10.1039/D1EE00493J ↗
3. 10.1021/jacs.5b1174010.1021/jacs.5b11740 ↗
4. 10.1038/s41566-019-0572-610.1038/s41566-019-0572-6 ↗
5. 10.1038/s41467-018-04430-210.1038/s41467-018-04430-2 ↗
6. 10.1021/acsenergylett.1c0264510.1021/acsenergylett.1c02645 ↗
7. 10.1038/nature1830610.1038/nature18306 ↗
8. 10.1021/acsenergylett.8b0118110.1021/acsenergylett.8b01181 ↗
9. 10.1038/ncomms1568410.1038/ncomms15684 ↗
10. 10.1021/acsenergylett.1c0181110.1021/acsenergylett.1c01811 ↗
11. 10.1038/s41467-019-13944-210.1038/s41467-019-13944-2 ↗
12. 10.1021/jacs.0c1132810.1021/jacs.0c11328 ↗
13. 10.1038/s41578-018-0065-010.1038/s41578-018-0065-0 ↗
14. 10.1002/adma.20210584910.1002/adma.202105849 ↗
15. 10.1021/acs.chemrev.8b0041710.1021/acs.chemrev.8b00417 ↗
16. 10.1021/acsenergylett.6b0065910.1021/acsenergylett.6b00659 ↗
17. 10.1021/jacs.9b0604610.1021/jacs.9b06046 ↗
18. 10.1039/C9EE03473K10.1039/C9EE03473K ↗
19. 10.1021/acs.chemmater.9b0256010.1021/acs.chemmater.9b02560 ↗
20. 10.1021/jacs.9b0097210.1021/jacs.9b00972 ↗
21. 10.1039/b007070j10.1039/b007070j ↗
22. 10.1021/acs.chemrev.5b0071510.1021/acs.chemrev.5b00715 ↗
23. 10.1021/acs.chemrev.0c0100610.1021/acs.chemrev.0c01006 ↗
24. 10.1021/jacs.6b1039010.1021/jacs.6b10390 ↗
25. 10.1107/S010876810703175810.1107/S0108768107031758 ↗
26. 10.1021/acs.jpclett.2c0008510.1021/acs.jpclett.2c00085 ↗
27. 10.1021/acs.inorgchem.7b0109410.1021/acs.inorgchem.7b01094 ↗
28. 10.1021/acs.chemmater.9b0156410.1021/acs.chemmater.9b01564 ↗
29. 10.1002/anie.20211479310.1002/anie.202114793 ↗
30. 10.1021/acsami.2c0992610.1021/acsami.2c09926 ↗
31. 10.1039/b504342e10.1039/b504342e ↗
32. 10.1063/1.494730510.1063/1.4947305 ↗
33. 10.1021/acs.jpclett.8b0130910.1021/acs.jpclett.8b01309 ↗
34. 10.1021/acs.jpclett.0c0384310.1021/acs.jpclett.0c03843 ↗
35. 10.1021/acsenergylett.2c0240810.1021/acsenergylett.2c02408 ↗
36. 10.1002/adma.20220472610.1002/adma.202204726 ↗
37. 10.1021/jacs.8b0365910.1021/jacs.8b03659 ↗
38. 10.1126/science.125476310.1126/science.1254763 ↗
39. 10.1021/acs.nanolett.8b0207810.1021/acs.nanolett.8b02078 ↗
40. 10.1021/acs.chemmater.5b0199110.1021/acs.chemmater.5b01991 ↗
41. 10.1021/ja511132a10.1021/ja511132a ↗
42. 10.1039/C7TA06841G10.1039/C7TA06841G ↗
43. 10.1002/aenm.20150096310.1002/aenm.201500963 ↗