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Tuning Donor-Acceptor Stacking in MOFs via Rational Metal Coordination for Enhanced Photothermal Conversion and
Xin-Yu Zheng1, Cong Wang1, Xu-Feng Luo1
1College of Material Science and Chemical Engineering, Ningbo University of Technology, Ningbo 315211, P. R. China.
Inorganic Chemistry
|September 16, 2025
Summary
Optimizing metal-organic frameworks (MOFs) for photothermal conversion relies on ligand stacking. Donor-acceptor stacking in TTFDPNI-Cd-MOF enhances light absorption and solar water evaporation.
Area of Science:
- Materials Science
- Chemistry
- Nanotechnology
Background:
- Photothermal conversion efficiency in metal-organic frameworks (MOFs) is influenced by organic ligand stacking.
- Understanding structure-property relationships is crucial for designing advanced MOFs.
- Redox-active ligands and distinct metal nodes offer opportunities to tune MOF properties.
Purpose of the Study:
- To systematically investigate the impact of metal nodes (Cd2+ vs. Co2+) on the photothermal properties of anisostructural MOFs.
- To elucidate the role of ligand stacking arrangements (donor-acceptor vs. donor-donor) in dictating photothermal conversion efficiency.
- To establish a structure-property relationship for optimizing MOFs in photothermal applications.
Main Methods:
- Synthesis and characterization of two anisostructural MOFs: TTFDPNI-Cd-MOF and TTFDPNI-Co-MOF, using identical redox-active ligands (H4TTFTB and DPNI).
- Single-crystal X-ray diffraction analysis to determine the crystal structures and stacking arrangements.
- Spectroscopic and photothermal characterization, including near-infrared absorption, photothermal conversion efficiency measurements, and solar-driven water evaporation tests.
Main Results:
- TTFDPNI-Cd-MOF exhibits optimal face-to-face donor-acceptor (D-A) π-π stacking, leading to strong intermolecular charge transfer (CT) interactions.
- TTFDPNI-Co-MOF displays segregated donor-donor (D-D) stacking configurations.
- The Cd-MOF demonstrated superior photothermal conversion efficiency (47.5%) with broader near-infrared absorption (700-1000 nm), reaching 254 °C, and exceptional solar water evaporation performance (96.8% efficiency).
Conclusions:
- Donor-acceptor stacking is a highly effective strategy for enhancing CT interactions and photothermal performance in MOFs.
- The TTFDPNI-Cd-MOF shows significant potential for applications requiring efficient light harvesting and heat generation.
- This study provides a clear structure-property correlation, guiding the design of next-generation MOF-based photothermal materials.
