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PreprintCC BY-NC-NDChemRxiv

Cooperative Inorganic-Organic Binding Sites in Zeolite Adsorbents Enhance CO ₂ Capture and Water Resistance

  • Debasmita Halder1,2
  • Mingze Zheng1,3
  • Hardik K. Balsaraf4,5
  • Taimin Yang6,7
  • Zachariah J. Berkson4,5
  • Brandon C. Bukowski1,3
  • Omar Abdelrahman1,2
  • Jeffrey D. Rimer1,2
7 affiliations
  1. 1Department of Chemical and Biomolecular Engineering
  2. 2University of Houston
  3. 3Johns Hopkins University
  4. 4Chemical Engineering, School for the Engineering of Matter, Transport, and Energy
  5. 5Arizona State University
  6. 6Department of Chemistry
  7. 7Stockholm University
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Abstract

Optimization of amine-based adsorbents for carbon capture technologies requires next-generation materials capable of handling a broad range of operating conditions with high amine efficiency. The current disadvantages of liquid amine absorbents motivate the design of porous solid analogues as alternatives. Here we present a bifunctional zeolite comprised of silanol defects and grafted amines that cooperatively bind CO 2 with 97% amine efficiency. We use a borosilicate beta zeolite as a parent material and generate a high density of silanol defects through facile post-synthesis demetalation, followed by amine functionalization. Spectroscopic techniques and density functional theory calculations confirm that silylpropylcarbamate species enhance CO 2 binding through an activated process with optimal performance at 100℃, which markedly reduces the temperature swing for regeneration without loss in performance after multiple cycles. Systematic analysis of carbon capture performance reveals that CO 2 sorption capacity doubles when shifting from high to low temperature, and is positively influenced by humidity.

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Cite

BibTeXRIS
BibTeX
@misc{halder2026cooperative,
  title = {{Cooperative Inorganic-Organic Binding Sites in Zeolite Adsorbents Enhance CO ₂ Capture and Water Resistance}},
  author = {Debasmita Halder and Mingze Zheng and Hardik K. Balsaraf and Taimin Yang and Zachariah J. Berkson and Brandon C. Bukowski and Omar Abdelrahman and Jeffrey D. Rimer},
  howpublished = {ChemRxiv},
  year = {2026},
  month = sep,
  doi = {10.26434/chemrxiv.15008830/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008830/v1},
  note = {CC BY-NC-ND},
}
RIS
TY  - UNPB
TI  - Cooperative Inorganic-Organic Binding Sites in Zeolite Adsorbents Enhance CO ₂ Capture and Water Resistance
AU  - Debasmita Halder
AU  - Mingze Zheng
AU  - Hardik K. Balsaraf
AU  - Taimin Yang
AU  - Zachariah J. Berkson
AU  - Brandon C. Bukowski
AU  - Omar Abdelrahman
AU  - Jeffrey D. Rimer
PY  - 2026
DA  - 2026/09/15
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15008830/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008830/v1
AB  - Optimization of amine-based adsorbents for carbon capture technologies requires next-generation materials capable of handling a broad range of operating conditions with high amine efficiency. The current disadvantages of liquid amine absorbents motivate the design of porous solid analogues as alternatives. Here we present a bifunctional zeolite comprised of silanol defects and grafted amines that cooperatively bind CO 2 with 97% amine efficiency. We use a borosilicate beta zeolite as a parent material and generate a high density of silanol defects through facile post-synthesis demetalation, followed by amine functionalization. Spectroscopic techniques and density functional theory calculations confirm that silylpropylcarbamate species enhance CO 2 binding through an activated process with optimal performance at 100℃, which markedly reduces the temperature swing for regeneration without loss in performance after multiple cycles. Systematic analysis of carbon capture performance reveals that CO 2 sorption capacity doubles when shifting from high to low temperature, and is positively influenced by humidity.
ER  -