XAS investigation of silica aerogel supported cobalt rhenium catalysts for ammonia decomposition

Kirste, Karsten Granlund; Laassiri, Said; Hu, Zhigang; Stoian, Dragos; Torrente‐Murciano, Laura; Hargreaves, J. S. J.; Mathisen, Karina

doi:10.1039/d0cp00558d

Cited by 10 publications

(2 citation statements)

References 58 publications

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“…Alloying techniques can be used to enhance relatively low activity metals into the optimal range of N 2 adsorption energy for NH 3 decomposition at the required conditions [90]. Researchers have used a linear combination of adsorption energies as an approximation for the catalytic activity for bimetallic compounds [74], and this has led to the development of bimetallic catalysts, such as Ni-Pt [91] and Ni-Mo [92], Co-Rh [93], Ni-Ru [94], Ni-Co [95], and Ru-Fe [96] to name a few. High throughput methods have also been used to develop a large number of catalysts for screening [97].…”

Section: Ammonia Decomposition Catalystsmentioning

confidence: 99%

Hydrogen storage in liquid hydrogen carriers: recent activities and new trends

et al. 2023

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Efficient storage of hydrogen is one of the biggest challenges towards a potential hydrogen economy. Hydrogen storage in liquid carriers is an attractive alternative to compression or liquefaction at low temperatures. Liquid carriers can be stored cost-effectively and transportation and distribution can be integrated into existing infrastructures. The development of efficient liquid carriers is part of the work of the International Energy Agency Task 40: Hydrogen-Based Energy Storage. Here, we report the state-of-the-art for ammonia and closed CO2-cycle methanol-based storage options as well for liquid organic hydrogen carriers.

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Section: Ammonia Decomposition Catalystsmentioning

confidence: 99%

Hydrogen storage in liquid hydrogen carriers: recent activities and new trends

et al. 2023

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“…Facing increased energy shortage and environmental pollution crises, the idea of green hydrogen energy is getting more attention. , One of the major technical challenges for large-scale hydrogen energy application is the lack of a low-cost, safe, and effective hydrogen storage and transportation system. Ammonia, due to its abundant yield, large hydrogen content (17.7 wt %), facile liquefaction (9 atm, 293 K), and transportation, is thought to be a good chemical hydrogen storage medium. − Through the ammonia decomposition reaction, a carbon-free chemical process, hydrogen can be fully released and on-site supplied to proton-exchange membrane fuel cell devices. − Traditional chemical catalysts used for ammonia decomposition mainly focus on individual transition metals, and Ru was confirmed with higher activity in pure metals (Ru > Ni > Rh > Co > Ir > Fe > Pt > Cr > Pd > Cu) . Ru is quite expensive, and its intrinsic catalytic activity is low below 600 K, which hinders its large-scale application.…”

Section: Introductionmentioning

confidence: 99%

Computational Screening of Bimetallic Catalysts: Application to Ammonia Decomposition

Liu

Guo

2021

J. Phys. Chem. C

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First-principles calculations and ab initio molecular dynamics (AIMD) are carried out to perform catalyst screening and investigate the structural dynamics of various transition-metal bimetallic surfaces (guest Fe, Co, and Ni; host Pd, Ag, Ir, Pt, and Au) for ammonia decomposition. First, we identify the activities of stepped/edged bimetallic surfaces using a library of surface N atom (N*) binding energies guided from a scaling-based kinetic Monte Carlo model with a focus on N* coverage effect. Second, based on segregation energy calculations and AIMD simulations, the improved thermodynamic and dynamic stability of bimetallic monolayer and stepped/edged surfaces are illustrated by considering N*−metal interactions. Several active Ir(111)-, Pd(111)-, and Pt(111)-based bimetallic surfaces with well-ordered stripes are found to be stable even without N*. For Ag(111)-and Au(111)-based surfaces, their stability depends on guest atoms' loading and coverage of N*. In particular, we discover that N* can lead to the spontaneous formation of well-ordered Fe stripes on the Ag(111) surface, a lower N*−N* association barrier (1.74 eV) is observed at step/edge sites, and the striped structure can be preserved in 10 ps' AIMD simulations at 800 K by N* regulation. Our work offers a family of efficient bimetallic catalysts in ammonia decomposition and provides guidance for tailoring bimetallic surfaces with multifunctionality microstructures in terms of adsorbate-induced catalyst dynamics. This approach also sheds light on other structure-sensitive reactions with complex chemistries to design highly active and stable catalysts under reaction conditions.

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Thermocatalytic Ammonia Decomposition – Status and Current Research Demands for a Carbon‐Free Hydrogen Fuel Technology

2022

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Hydrogen storage materials and technologies are deemed as the cornerstone towards a world economy less reliant on, and ultimately independent of fossil resources. Ammonia is considered among the most efficient carbon‐free hydrogen carriers because of its relatively high gravimetric and volumetric hydrogen storage capacities and, equally important, ease of transport and storage. In addition, the well‐established chemical production of ammonia (preferably a green Haber‐Bosch process) would accelerate the immediate introduction of hydrogen into energy infrastructure. Thermocatalytic decomposition of ammonia yields clean, COx‐free hydrogen, but is energy intensive and currently performed with expensive Ru‐based catalysts. The development of more efficient catalysts based on more abundant and cheaper elements is indispensable for future wide‐scale industrial application. Therefore, the conceptualization of strategies and challenges for material developments, study and optimization of ammonia decomposition catalysts as well as their in situ/operando characterizations are pivotal aspects to be considered.

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XAS investigation of silica aerogel supported cobalt rhenium catalysts for ammonia decomposition

Abstract: In situ XAS applied to a silica supported CoRe catalyst for ammonia decomposition shows the importance of the reduced bimetallic phase.

Cited by 10 publications

References 58 publications

Hydrogen storage in liquid hydrogen carriers: recent activities and new trends

Hydrogen storage in liquid hydrogen carriers: recent activities and new trends

Computational Screening of Bimetallic Catalysts: Application to Ammonia Decomposition

Thermocatalytic Ammonia Decomposition – Status and Current Research Demands for a Carbon‐Free Hydrogen Fuel Technology

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