Runaway Carbon Dioxide Conversion Leads to Enhanced Uptake in a Nanohybrid Form of Porous Magnesium Borohydride

Noemie Marius, Thomas Gennett, Sohee Jeong, Phillip Milner, Liwen Wan, Yi-Sheng Liu, Julia Oktawiec, Edmond Zaia, Alexander Forse, Jinghua Guo, David Prendergast, Jeffrey Long, Jeffrey Urban

Research output: Contribution to journalArticlepeer-review

9 Scopus Citations


Leveraging molecular-level controls to enhance CO2 capture in solid-state materials has received tremendous attention in recent years. Here, a new class of hybrid nanomaterials constructed from intrinsically porous γ-Mg(BH4)2 nanocrystals and reduced graphene oxide (MBHg) is described. These nanomaterials exhibit kinetically controlled, irreversible CO2 uptake profiles with high uptake capacities (>19.9 mmol g−1) at low partial pressures and temperatures between 40 and 100 °C. Systematic experiments and first-principles calculations reveal the mechanism of reaction between CO2 and MBHg and unveil the role of chemically activated, metastable (BH3-HCOO) centers that display more thermodynamically favorable reaction and potentially faster reaction kinetics than the parent BH4 centers. Overall, it is demonstrated that size reduction to the nanoscale regime and the generation of reactive, metastable intermediates improve the CO2 uptake properties in metal borohydride nanomaterials.

Original languageAmerican English
Article number1904252
Number of pages9
JournalAdvanced Materials
Issue number44
StatePublished - 2019

Bibliographical note

Publisher Copyright:
© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

NREL Publication Number

  • NREL/JA-5900-74987


  • carbon dioxide capture
  • kinetics
  • magnesium borohydride gamma phase (γ-Mg(BH ))
  • nanomaterials
  • reduced graphene oxide


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