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

被引：1

作者：

Zhao, Tianyun ^{[1
]}

Shen, Qiuwan ^{[1
]}

Chen, Gaokui ^{[1
]}

Zhang, Xin ^{[1
]}

Andersson, Martin ^{[2
]}

Li, Shian ^{[1
]}

机构：

[1] Dalian Maritime Univ, Marine Engn Coll, Dalian, Peoples R China

[2] Lund Univ, Dept Energy Sci, Lund, Sweden

来源：

CHEMICAL PHYSICS LETTERS | 2025年 / 860卷

基金：

中国国家自然科学基金;

关键词：

Methanol steam reforming; Perovskite catalyst; DFT calculation; Mechanism analysis; Hydrogen energy; NI;

D O I：

10.1016/j.cplett.2024.141778

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 degrees 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.

引用

页数：11

共 42 条

[1] Hydrogen production from steam reforming of methanol: A comprehensive review on thermodynamics, catalysts, reactors, and kinetic studies [J].

Achomo, Masresha Adasho ;

Kumar, Alok ;

Peela, Nageswara Rao ;

Muthukumar, P. .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 58 :1640-1672

[2] Spatial analysis of CO poisoning in high temperature polymer electrolyte membrane fuel cells [J].

Babu, Venkatesh K. P. ;

Varghese, Geethu ;

Joseph, Thadathil Varghese ;

Chippar, Purushothama .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2021, 46 (11) :8179-8196

[3] International prevalence, recognition, and treatment of cardiovascular risk factors in outpatients with atherothrombosis [J].

Bhatt, DL ;

Steg, PG ;

Ohman, EM ;

Hirsch, AT ;

Ikeda, Y ;

Mas, JL ;

Goto, S ;

Liau, CS ;

Richard, AJ ;

Röther, J ;

Wilson, PWF ;

Andersen-Dalheim, H ;

Anderson, P ;

Anell, B ;

Arber, S ;

Armstrong, K ;

Arnot, D ;

Baldam, A ;

Barratt, I ;

Barresi, S ;

Beder, J ;

Benson, M ;

Bergman, F ;

Best, J ;

Bhasim, R ;

Bovell, G ;

Bowman, N ;

Brkic, M ;

Bromberger, D ;

Brown, D ;

Brown, J ;

Brownstein, M ;

Bruce, A ;

Buonopane, J ;

Burns, S ;

Butler, A ;

Byrne, D ;

Carson, J ;

Cassimatis, P ;

Chaffey, G ;

Chambers, D ;

Chan, WJ ;

Chan, B ;

Cheatham, J ;

Chen, R ;

Cheong, B ;

Cheung, C ;

Chin, J ;

Chiu, A ;

Choo, E .

JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION, 2006, 295 (02) :180-189

[4] Techno-economic and environmental assessment of methanol steam reforming for H2 production at various scales [J].

Byun, Manhee ;

Lee, Boreum ;

Lee, Hyunjun ;

Jung, Seungkyo ;

Ji, Hyunjin ;

Lim, Hankwon .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 45 (46) :24146-24158

[5] Sr and Fe substituted LaCoO3 nano perovskites: Electrochemical energy storage and sensing applications [J].

Deshmukh, V. V. ;

Tejashwini, D. M. ;

Nagaswarupa, H. P. ;

Naik, Ramachandra ;

Al-Kahtani, Abdullah A. ;

Kumar, Yedluri Anil .

JOURNAL OF ENERGY STORAGE, 2024, 89

[6] Unravelling the role of metal-metal oxide interfaces of Cu/ZnO/ZrO2/Al2O3 catalyst for methanol synthesis from CO2: Insights from experiments and DFT-based microkinetic modeling [J].

Dharmalingam, Balaji C. ;

Koushik, V. Ajay ;

Mureddu, Mauro ;

Atzori, Luciano ;

Lai, Sarah ;

Pettinau, Alberto ;

Kaisare, Niket S. ;

Aghalayam, Preeti ;

Varghese, Jithin John .

APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY, 2023, 332

[7] Light alcohols reforming towards renewable hydrogen production on multicomponent catalysts [J].

Fajin, Jose L. C. ;

Cordeiro, M. Natalia D. S. .

RENEWABLE & SUSTAINABLE ENERGY REVIEWS, 2021, 138

[8] Probing the efficiency of platinum nanotubes for the H2 production by water gas shift reaction: A DFT study [J].

Fajin, Jose L. C. ;

Natalia, M. ;

Cordeiro, D. S. .

APPLIED CATALYSIS B-ENVIRONMENTAL, 2020, 263

[9] An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation [J].

Gerrits, Nick ;

Kroes, Geert-Jan .

JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (02)

[10] Comparative study of alumina-supported transition metal catalysts for hydrogen generation by steam reforming of acetic acid [J].

Hu, Xun ;

Lu, Gongxuan .

APPLIED CATALYSIS B-ENVIRONMENTAL, 2010, 99 (1-2) :289-297

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