journal article·2022-04-20

Role of Terminal Group Position in Triphenylamine-Based Self-Assembled Hole-Selective Molecules in Perovskite Solar Cells

Ece Aktas, Rajesh Pudi, Nga Phung, Robert Wenisch, Luca Gregori, Daniele Meggiolaro, Marion A. Flatken, Filippo De Angelis, Iver Lauermann, Antonio Abate, Emilio Palomares

ACS Applied Materials & Interfaces· Volume 14· Issue 15
Publisher page

Abstract

The application of self-assembled molecules (SAMs) as a charge selective layer in perovskite solar cells has gained tremendous attention. As a result, highly efficient and stable devices have been released with stand-alone SAMs binding ITO substrates. However, further structural understanding of the effect of SAM in perovskite solar cells (PSCs) is required. Herein, three triphenylamine-based molecules with differently positioned methoxy substituents have been synthesized that can self-assemble onto the metal oxide layers that selectively extract holes. They have been effectively employed in p-i-n PSCs with a power conversion efficiency of up to 20%. We found that the perovskite deposited onto SAMs made by para- and ortho-substituted hole selective contacts provides large grain thin film formation increasing the power conversion efficiencies. Density functional theory predicts that para- and ortho-substituted position SAMs might form a well-ordered structure by improving the SAM's arrangement and in consequence enhancing its stability on the metal oxide surface. We believe this result will be a benchmark for the design of further SAMs.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Organic Electronics and Photovoltaics

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

Affiliations

Institute of Chemical Research of Catalonia (ICIQ-BIST), Avda. Països Catalans, 16, Tarragona E-43007, Spain

Departament de Química-Física i Inorgànica, Universitat Rovira i Virgili, Tarragona E-43007, Spain

Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14109 Berlin, Germany

PVcomB/Helmholtz-Zentrum Berlin für Materialien und Energie, Schwarzschildstraße 3, 12489 Berlin, Germany

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

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

Department of Natural Sciences and Mathematics, College of Sciences and Human Studies, Prince Mohammad Bin Fahd University, Khobar, Dhahran 34754 Saudi Arabia

Department of Chemical, Materials, and Production Engineering, University of Naples Federico II, Piazzale Tecchio 80, 80125 Fuorigrotta, Italy

ICREA, Passeig LLuís Companys 23, E-08010, Barcelona, Spain

Funding

Ministerio de Econom?a y Competitividad · Institut Catal? d'Investigaci? Qu?mica · Bundesministerium f?r Wirtschaft und Energie · H2020 European Research Council · Instituci? Catalana de Recerca i Estudis Avan?ats · Ag?ncia de Gesti? d'Ajuts Universitaris i de Recerca

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