journal article·2026-05-08Open access

Stronger Lewis Base Antisolvents Improve Perovskite Nanocrystal Stability

Junzhi Ye, Charlie Nicholls, Woo Hyeon Jeong, Dong Yoon Chung, Ashish Gaurav, Kieran De-Ville, Rui Xu, Zongming Ni, Qingyu Wang, Xinyu Shen, Jieling Tan, Eilidh L. Quinn, Maxime Atkinson, Wei Zhang, Haitao Zhao, Henry J. Snaith, Robert A. Taylor, Yunwei Zhang, Robert L. Z. Hoye

ACS Energy Letters· Volume 11· Issue 5

Abstract

High Resolution Image Download MS PowerPoint Slide Lead-halide perovskite nanocrystals (NCs) have gained attention for optoelectronics, but careful selection of the antisolvent used for purification is essential to achieve high monodispersity and yield while minimizing surface damage. Current understanding indicates that this requires lowering the relative polarity of the antisolvent, yet high-polarity antisolvents are widely used for purification, as we confirm through data mining. We show that polarity alone is insufficient for antisolvent selection by comparing ethyl acetate and acetonitrile for CsPbI 3 NC purification. Despite its higher polarity, acetonitrile yields improved colloidal stability compared to ethyl acetate. Using 1 H NMR, FTIR, and XPS measurements, alongside DFT calculations, we demonstrate that acetonitrile acts as a stronger Lewis base, binding to and passivating the NC surface. Coordination of acetonitrile to the perovskite NC surface enhances stability and improves their performance in light-emitting diodes. These findings establish a mechanistic framework for antisolvent selection to realize bright and stable halide perovskite NCs.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Quantum Dots Synthesis And Properties · Organic Light-Emitting Diodes Research

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

Affiliations

Department of Chemistry, Inorganic Chemistry Laboratory

University of Oxford

Institute of Polymer Optoelectronic Materials and Devices, Guangdong Basic Research Centre of Excellence for Energy & Information Polymer Materials, State Key Laboratory of Luminescent Materials and Devices, School of Materials Science and Engineering

South China University of Technology

School of Physics

Sun Yat-sen University

Wenzhou Institute of Technology

Clarendon Laboratory, Department of Physics

Center for Alloy Innovation and Design (CAID), State Key Laboratory for Mechanical Behavior of Materials

Xi’an Jiaotong University

Research Centre for Materials Intelligent Manufacturing, State Key Laboratory of Ultra-precision Machining Technology, Department of Electrical and Electronic Engineering

The Hong Kong Polytechnic University

Funding

Engineering and Physical Sciences Research Council · Royal Academy of Engineering · Sun Yat-sen University · St. John's College, University of Oxford · National Key Research and Development Program of China · Basic and Applied Basic Research Foundation of Guangdong Province · Fundamental Research Funds for the Central Universities · National Natural Science Foundation of China · Oxford-Shanghai Tech Project

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