Thoughts on Starting the Hydrogen Economy

Crabtree, G. W.; Dresselhaus, M. S.; Buchanan, Michelle V.

doi:10.1063/1.4797046

Cited by 11 publications

(4 citation statements)

References 2 publications

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“…Water electrolysis is considered the 'holy grail' for the largescale green production of hydrogen given that no other method can produce bulk quantities of H 2 employing energy from renewable sources, while not emitting any carbon oxides. 1,2 Accordingly, studies have focused on developing efficient electrocatalysts to carry out the anodic oxygen evolution reaction (OER) and the cathodic hydrogen evolution reaction (HER) with minimal energy requirements in recent years. [3][4][5][6][7] Previously, only acid-stable noble and precious metal (Ir, Ru, and Pt) catalysts were studied frequently.…”

Section: Introductionmentioning

confidence: 99%

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

Rajan¹,

Anantharaj²,

Kim³

et al. 2023

J. Mater. Chem. A

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Section: Introductionmentioning

confidence: 99%

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

Rajan¹,

Anantharaj²,

Kim³

et al. 2023

J. Mater. Chem. A

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“…However, finding a safe and economical technology for the storage and on-site generation of hydrogen is a major challenge. For this purpose, ammonia is proposed as a viable hydrogen vector for on-site hydrogen production due to the large gravimetric hydrogen density (17.8 wt %), easy storage, and well-developed transmission technology. , In the process of producing hydrogen from ammonia, the N–H bonds in the ammonia molecule have to be broken, followed by N–N bond formation and desorption. However, without a catalyst, this molecular decomposition reaction is sluggish and occurs at very high temperatures.…”

Section: Introductionmentioning

confidence: 99%

A DFT Study of the Ammonia Decomposition Mechanism on the Electronically Modified Fe₃N Surface by Doping Molybdenum

et al. 2023

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Ammonia is a potential carbon-free carrier for the on-site delivery of hydrogen and is critical in the development of a hydrogen economy. Designing a noble metal-free catalyst for the lowtemperature decomposition of NH 3 is a challenging task in this route. We conducted first-principles studies to have a comprehensive understanding of the ammonia decomposition mechanism on the molybdenum-doped iron nitride (Fe 3 N) surface. The results indicate that when Mo is doped on the surface of Fe 3 N(111) it donates electrons to the surface and alters the overall electronic structure of the catalyst. The activation energy for the intermediate steps of ammonia decomposition is substantially reduced on the Mo-doped Fe 3 N surface compared to undoped Fe 3 N. NH 3 adsorbs preferably on Mo sites over Mo-doped Fe 3 N(111). However, subsequent intermediate species NH 2 and NH prefer Fe sites for adsorption. The activation barrier for the recombination and desorption of nitrogen adatoms is highest compared to the other elementary steps in the breakdown of NH 3 on Mo-doped Fe 3 N(111) and therefore limits the overall rate of the decomposition reaction of ammonia. The Bader charge, density of state (DOS), and crystal orbital Hamiltonian population (COHP) calculations elucidate the electronic properties of the catalyst.

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“…[13][14][15][16][17][18][19] Electrocatalytic water splitting is regarded as the fastest, safest, and the greenest (provided that input energy is from renewables) method of all capable of producing highly pure hydrogen (99.999 %) while also being regarded as an indirect mean of large-scale energy storage that stores electrical energy as chemical fuels. [20,21] In spite of having such advantages,w ater electrosplitting lacks in energy-efficiency and also suffers from avery low abundance of the best active catalysts which have been the main reasons for hindering its successful commercialization. [22][23][24] Affordability of hydrogen produced during catalytic water electrosplitting is determined primarily by the activity and the availability of electrode materials used.…”

Section: Introductionmentioning

confidence: 99%

Strategies and Perspectives to Catch the Missing Pieces in Energy‐Efficient Hydrogen Evolution Reaction in Alkaline Media

et al. 2021

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Transition metal hydroxides (M‐OH) and their heterostructures (X|M‐OH, where X can be a metal, metal oxide, metal chalcogenide, metal phosphide, etc.) have recently emerged as highly active electrocatalysts for hydrogen evolution reaction (HER) of alkaline water electrolysis. Lattice hydroxide anions in metal hydroxides are primarily responsible for observing such an enhanced HER activity in alkali that facilitate water dissociation and assist the first step, the hydrogen adsorption. Unfortunately, their poor electronic conductivity had been an issue of concern that significantly lowered its activity. Interesting advancements were made when heterostructured hydroxide materials with a metallic and or a semiconducting phase were found to overcome this pitfall. However, in the midst of recently evolving metal chalcogenide and phosphide based HER catalysts, significant developments made in the field of metal hydroxides and their heterostructures catalysed alkaline HER and their superiority have unfortunately been given negligible attention. This review, unlike others, begins with the question of why alkaline HER is difficult and will take the reader through evaluation perspectives, trends in metals hydroxides and their heterostructures catalysed HER, an understanding of how alkaline HER works on different interfaces, what must be the research directions of this field in near future, and eventually summarizes why metal hydroxides and their heterostructures are inevitable for energy‐efficient alkaline HER.

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Thoughts on Starting the Hydrogen Economy

Cited by 11 publications

References 2 publications

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

A DFT Study of the Ammonia Decomposition Mechanism on the Electronically Modified Fe₃N Surface by Doping Molybdenum

Strategies and Perspectives to Catch the Missing Pieces in Energy‐Efficient Hydrogen Evolution Reaction in Alkaline Media

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Thoughts on Starting the Hydrogen Economy

Cited by 11 publications

References 2 publications

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

Strategically designed trimetallic catalyst with minimal Ru addresses both water dissociation and hydride poisoning barriers in alkaline HER

A DFT Study of the Ammonia Decomposition Mechanism on the Electronically Modified Fe3N Surface by Doping Molybdenum

Strategies and Perspectives to Catch the Missing Pieces in Energy‐Efficient Hydrogen Evolution Reaction in Alkaline Media

Contact Info

Product

Resources

About

A DFT Study of the Ammonia Decomposition Mechanism on the Electronically Modified Fe₃N Surface by Doping Molybdenum