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Exploring the potential of perovskite LaBO3 (B = Co, Fe, Cu, Al) as an efficient and durable hydrogen production catalyst for methanol steam reforming : Experimental and DFT studies

Zhao, Tianyun ; Shen, Qiuwan ; Chen, Gaokui ; Zhang, Xin ; Andersson, Martin LU orcid and Li, Shian (2025) In Chemical Physics Letters 860.
Abstract

In this study, LaBO3 (B = Co, Fe, Cu, Al) perovskite catalysts were introduced for Methanol Steam Reforming (MSR). Results showed that LaCoO3 displayed a 100 % methanol conversion efficiency and a notable hydrogen production rate of 7.86 mol/min/gcat, maintaining stability for more than 40 h at 600 °C. Theoretical computations indicate that the CH3O dehydrogenation to CH2O (a rate-determining process) occurs without methanol breaking down into methane and coke, thus ensuring its long-lasting stability. The fusion of experimental findings with theoretical forecasts underscores the prowess of LaCoO3 as a remarkable perovskite catalyst and its extensive possibilities in the... (More)

In this study, LaBO3 (B = Co, Fe, Cu, Al) perovskite catalysts were introduced for Methanol Steam Reforming (MSR). Results showed that LaCoO3 displayed a 100 % methanol conversion efficiency and a notable hydrogen production rate of 7.86 mol/min/gcat, maintaining stability for more than 40 h at 600 °C. Theoretical computations indicate that the CH3O dehydrogenation to CH2O (a rate-determining process) occurs without methanol breaking down into methane and coke, thus ensuring its long-lasting stability. The fusion of experimental findings with theoretical forecasts underscores the prowess of LaCoO3 as a remarkable perovskite catalyst and its extensive possibilities in the realm of methanol hydrogen generation.

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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
DFT calculation, Hydrogen energy, Mechanism analysis, Methanol steam reforming, Perovskite catalyst
in
Chemical Physics Letters
volume
860
article number
141778
publisher
Elsevier
external identifiers
  • scopus:85210399209
ISSN
0009-2614
DOI
10.1016/j.cplett.2024.141778
language
English
LU publication?
yes
id
58c8267a-bccf-4922-b7e3-62f68f31775e
date added to LUP
2025-02-18 15:14:18
date last changed
2025-10-14 09:16:38
@article{58c8267a-bccf-4922-b7e3-62f68f31775e,
  abstract     = {{<p>In this study, LaBO<sub>3</sub> (B = Co, Fe, Cu, Al) perovskite catalysts were introduced for Methanol Steam Reforming (MSR). Results showed that LaCoO<sub>3</sub> displayed a 100 % methanol conversion efficiency and a notable hydrogen production rate of 7.86 mol/min/g<sub>cat</sub>, maintaining stability for more than 40 h at 600 °C. Theoretical computations indicate that the CH<sub>3</sub>O dehydrogenation to CH<sub>2</sub>O (a rate-determining process) occurs without methanol breaking down into methane and coke, thus ensuring its long-lasting stability. The fusion of experimental findings with theoretical forecasts underscores the prowess of LaCoO<sub>3</sub> as a remarkable perovskite catalyst and its extensive possibilities in the realm of methanol hydrogen generation.</p>}},
  author       = {{Zhao, Tianyun and Shen, Qiuwan and Chen, Gaokui and Zhang, Xin and Andersson, Martin and Li, Shian}},
  issn         = {{0009-2614}},
  keywords     = {{DFT calculation; Hydrogen energy; Mechanism analysis; Methanol steam reforming; Perovskite catalyst}},
  language     = {{eng}},
  publisher    = {{Elsevier}},
  series       = {{Chemical Physics Letters}},
  title        = {{Exploring the potential of perovskite LaBO<sub>3</sub> (B = Co, Fe, Cu, Al) as an efficient and durable hydrogen production catalyst for methanol steam reforming : Experimental and DFT studies}},
  url          = {{http://dx.doi.org/10.1016/j.cplett.2024.141778}},
  doi          = {{10.1016/j.cplett.2024.141778}},
  volume       = {{860}},
  year         = {{2025}},
}