Organic–Inorganic Metal Halide Perovskites: Toward Stability, Chirality, and AI-Guided Discovery

Organic–inorganic metal halide perovskites (OIMHPs) are rapidly emerging as a versatile class of hybrid semiconductors, driven in part by the development of next-generation solar cells based on metal halide perovskites. By integrating the structural flexibility of organic components with the inorganic lattices, OIMHPs offer unprecedented opportunities for designing materials with tailored optoelectronic functionality, stability, photophysics, and spintronic properties. In this outlook, we highlight three frontier directions shaping the future of low-dimensional OIMHPs: (i) incorporation of conjugated cations to tune charge transport, energy alignment, and stability, (ii) introduction of chirality to enable chiral-induced spin selectivity and spintronic devices, and (iii) application of artificial intelligence to accelerate structure prediction and discovery. Lastly, we also outline critical challenges, including the need for standardized stability benchmarks, spin functionality, and robust data sets for machine learning. Addressing these challenges will not only advance OIMHP chemistry but also unlock transformative applications spanning photovoltaics, spintronics, and photoelectrocatalysis.

Authors

Institutions

Publication Details

Journal
ACS Central Science
Published
2026-01-25
DOI
https://doi.org/10.1021/acscentsci.5c02169
Primary Topic
Perovskite Materials and Applications
Type
article
Field-Weighted Citation Impact
0.00
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Organic–Inorganic Metal Halide Perovskites: Toward Stability, Chirality, and AI-Guided Discovery

Yiying Wu, Jiaonan Sun
ACS Central Science
Perovskite Materials and Applications
article

Organic–Inorganic Metal Halide Perovskites: Toward Stability, Chirality, and AI-Guided Discovery

Yiying Wu, Jiaonan Sun
article en

Abstract

Organic–inorganic metal halide perovskites (OIMHPs) are rapidly emerging as a versatile class of hybrid semiconductors, driven in part by the development of next-generation solar cells based on metal halide perovskites. By integrating the structural flexibility of organic components with the inorganic lattices, OIMHPs offer unprecedented opportunities for designing materials with tailored optoelectronic functionality, stability, photophysics, and spintronic properties. In this outlook, we highlight three frontier directions shaping the future of low-dimensional OIMHPs: (i) incorporation of conjugated cations to tune charge transport, energy alignment, and stability, (ii) introduction of chirality to enable chiral-induced spin selectivity and spintronic devices, and (iii) application of artificial intelligence to accelerate structure prediction and discovery. Lastly, we also outline critical challenges, including the need for standardized stability benchmarks, spin functionality, and robust data sets for machine learning. Addressing these challenges will not only advance OIMHP chemistry but also unlock transformative applications spanning photovoltaics, spintronics, and photoelectrocatalysis.

ACS Central Science
Guangdong University of Technology (CN), The Ohio State University (US)
Affordable and clean energy
Openalex Percentile: Top 78%
Perovskite Materials and Applications
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.