Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO2 adsorption at ambient pressure

Dawei Guo; Dongdong Feng; Yalong Zhang; Yu Zhang; Yijun Zhao; Jianmin Gao; Shaozeng Sun

doi:10.59717/j.xinn-energy.2026.100131

The Innovation Energy > 2026 Vol. 3 > No. 1 > 100131

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Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO₂ adsorption at ambient pressure

1.
School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, 150001, China
2.
Xi’an Thermal Engineering Research Institute Co., Ltd, Xi’an, 710000, China

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Corresponding author: 08031175@163.com
Received Date: July 01, 2025

Accepted Date: December 04, 2025

Published Online: January 15, 2026

The Innovation Energy 3(1), https://doi.org/10.59717/j.xinn-energy.2026.100131 | Cite this article

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PUBLIC SUMMARY

PUBLIC SUMMARY
1. The orderly construction of nanopores is crucial for the performance of the adsorption-compressed CO₂ energy storage system.
  
  Hierarchical pore functionalization enables high-capacity carbon storage at ambient pressure and flexible adsorption-desorption.
  
  A framework targeting efficient thermal and mass storage/exchange in adsorbent materials is established for energy storage systems.

ABSTRACT

ABSTRACT

The development of functional biochar with high-capacity and rapid CO₂ adsorption/desorption capabilities is pivotal for compressed CO₂ energy storage systems, effectively mitigating renewable energy intermittency and advancing carbon-neutral power grid infrastructure. A porous biochar with hierarchically structured pores and deliberately incorporated nitrogen functional groups is fabricated through hydrothermal treatment followed by chemical activation in this study. A multimodal approach combining experimental adsorption analyses with molecular dynamics and density functional theory simulations systematically elucidates the structure-activity relationships governing CO₂ adsorption-desorption equilibrium. The UHTCK biochar demonstrates narrowly distributed micropores (centered at 0.7 nm) within an ideal hierarchical architecture, achieving a CO₂ adsorption capacity of 6.01 mmol/g at 0 °C with 92.05% regeneration efficiency after 20 cycles. Edge functionalization enhances surface polarity, facilitating electrostatic-driven weak interactions (e.g., hydrogen bonding) that promote monolayer CO₂ confinement in micropores. Mesopores exhibit wall-proximal CO₂ accumulation, while nitrogen-doped mesopores optimize diffusion kinetics. Mechanistic analysis reveals that high microporosity enables substantial CO₂ storage, while nitrogen-functionalized surfaces and mesopores thermodynamically balance the adsorption and heat to meet the requirements of adsorption-compression CO₂ energy storage systems. Strategic pore-functionality engineering enables ambient-condition rapid CO₂ cycling through regulated gas-solid-thermal interactions. This work provides theoretical insights and design principles for developing atmospheric-pressure CO₂ capture materials, offering transformative potential for next-generation energy storage systems.
- Biochar /
- CO₂ adsorption /
- Hierarchical pore /
- Functionalization /
- Adsorption heat

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Guo D., Feng D., Zhang Y., et al. (2026). Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO2 adsorption at ambient pressure. The Innovation Energy 3:100131. https://doi.org/10.59717/j.xinn-energy.2026.100131

Guo D., Feng D., Zhang Y., et al. (2026). Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO₂ adsorption at ambient pressure. The Innovation Energy 3:100131. https://doi.org/10.59717/j.xinn-energy.2026.100131

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Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO₂ adsorption at ambient pressure

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Ordered construction of multiscale functional biochar: Mechanistic insights into high-capacity CO₂ adsorption at ambient pressure