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Peer-reviewedCC BYThe journal of physical chemistry letters

Angstrom-Scale Confinement Activates O2 via Spin and Charge Reconfiguration.

  • Chenjiao Bu1,2
  • Liangliang Huang2
  • Jianguo Wang1
  1. 1Zhejiang Key Laboratory of Surface and Interface Science and Engineering for Catalysts, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou310014, China.
  2. 2School of Sustainable Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, Oklahoma73019, United States.
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Abstract

First-principles calculations show that angstrom-scale slit confinement alone activates O2 via the coupled spin, charge, and bonding reconfiguration. Across electronically distinct walls (graphene, h-BN, and g-C3N4), reducing the gap drives a stepwise evolution from triplet O2 to superoxide-like and spin-quenched peroxo-like states, followed by O-O scission and surface chemisorption. A pressure-gap relation exhibits a sharp signature at the crossover, suggesting the confinement-driven generation of reactive oxygen species without dopants, photons, or external fields.

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Cite

BibTeXRIS
BibTeX
@article{bu2026angstromscale,
  title = {{Angstrom-Scale Confinement Activates O2 via Spin and Charge Reconfiguration.}},
  author = {Chenjiao Bu and Liangliang Huang and Jianguo Wang},
  journal = {The journal of physical chemistry letters},
  year = {2026},
  month = oct,
  doi = {10.1021/acs.jpclett.6c01844},
  url = {https://europepmc.org/article/MED/42917742},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Angstrom-Scale Confinement Activates O2 via Spin and Charge Reconfiguration.
AU  - Chenjiao Bu
AU  - Liangliang Huang
AU  - Jianguo Wang
PY  - 2026
DA  - 2026/10/01
JO  - The journal of physical chemistry letters
DO  - 10.1021/acs.jpclett.6c01844
UR  - https://europepmc.org/article/MED/42917742
AB  - First-principles calculations show that angstrom-scale slit confinement alone activates O2 via the coupled spin, charge, and bonding reconfiguration. Across electronically distinct walls (graphene, h-BN, and g-C3N4), reducing the gap drives a stepwise evolution from triplet O2 to superoxide-like and spin-quenched peroxo-like states, followed by O-O scission and surface chemisorption. A pressure-gap relation exhibits a sharp signature at the crossover, suggesting the confinement-driven generation of reactive oxygen species without dopants, photons, or external fields.
SN  - 1948-7185
ER  -