Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li+, and H2/CO2 Adsorption

Mario Sanchez; Jonas Baltrusaitis; Maria G. Vasquez-Rios; Leonard R. MacGillivray; Gonzalo Campillo-Alvarado; Herbert Hopfl

doi:10.1021/acsnanoscienceau.5c00113

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Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li+, and H2/CO2 Adsorption

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Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li+, and H2/CO2 Adsorption

Mario Sanchez, Jonas Baltrusaitis, Maria G. Vasquez-Rios, Leonard R. MacGillivray, Gonzalo Campillo-Alvarado and Herbert Hopfl

ACS Nanoscience Au, Vol.5(6), pp.568-575

12/17/2025

DOI: 10.1021/acsnanoscienceau.5c00113

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Abstract

Spherical and hollow molecular cages based on planar triazine (C3N3) hubs and aromatic phenylene connectors have been developed. The cages exhibit topologies akin to C20, C60, and C70 fullerenes with diameters that range from 2.3 to 4.9 nm. Apertures into the cage interiors are tuned by varying the aromatic connectors situated between the C3N3-units. The stabilities of the C3N3 cages increase with size owing to reduced bending strain of planar nodes and connectors that make up the spherical aromatic networks. Doping of the cages with Li+ reveals the capacity of the cages for significant adsorption of gaseous H2 and CO2. The design of graphene-like spherical cages is also discussed.

Nanoscience & Nanotechnology

Science & Technology

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Details

Title: Subtitle: Nanometer-Scale Fullerene-Type Conjugated Covalent Cages Based on Triazine: Design, Doping with Li+, and H2/CO2 Adsorption
Creators: Mario Sanchez - Centro de Investigación en Materiales Avanzados
Jonas Baltrusaitis - Lehigh University
Maria G. Vasquez-Rios - Département de Chimie Moléculaire
Leonard R. MacGillivray - Université de Sherbrooke
Gonzalo Campillo-Alvarado - Reed College
Herbert Hopfl - Universidad Autónoma del Estado de Morelos
Resource Type: Journal article
Publication Details: ACS Nanoscience Au, Vol.5(6), pp.568-575
DOI: 10.1021/acsnanoscienceau.5c00113
ISSN: 2694-2496
eISSN: 2694-2496
Publisher: Amer Chemical Soc
Number of pages: 8
Grant note: Center for Understanding and Controlling Accelerated and Gradual Evolution of Materials for Energy - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; United States Department of Energy (DOE) Consejo Nacional de Ciencia y Tecnologia (CONACyT) 2138259; 2138286; 2138307; 2137603; 2138296 / Advanced Cyberinfrastructure Coordination Ecosystem: Services & Support (ACCESS) program FSU-202118942 / U.S. National Science Foundation; National Science Foundation (NSF) Canada Excellence Research Chairs (CERC) program; European Research Council (ERC) Secretaria de Educacion, Ciencia, Tecnologia e Innovacion (SECTEI) de la Ciudad de Mexico Reed College DE-SC0012577 / National Science Foundation; National Science Foundation (NSF) M. J. Murdock Charitable Trust
Language: English
Electronic publication date: 09/25/2025
Date published: 12/17/2025
Academic Unit: Chemistry
Record Identifier: 9984969105302771

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