The role of S and Mo doping on the dissociation of water molecule on FeOCl surface: Experimental and theoretical analysis

Liu, Xiao; Zhang, Wenyi; Peng, Mingguo; Zhai, Guangqun; Hu, Linchao; Mao, Linqiang

doi:10.1016/j.cej.2021.131353

Cited by 22 publications

(8 citation statements)

References 39 publications

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“…As an early transition metal to be discovered, Mo shows a relatively strong water–Mo binding. , Jiang et al found that doping heteroatom Mo with Co clusters could significantly optimize the catalytic activity for H 2 O splitting, in which the adsorption strength of H 2 O was enhanced and the energy barrier of O–H bond breaking was greatly reduced . Besides, Mao et al also discovered that Mo doping could enhance the electropositivity of FeOCl and promote the adsorption of H 2 O molecules . These exciting findings motivate us to explore the influence of Mo species for noble metal catalysts in alkaline HER. ,,− …”

Section: Introductionmentioning

confidence: 99%

“…27 Besides, Mao et al also discovered that Mo doping could enhance the electropositivity of FeOCl and promote the adsorption of H 2 O molecules. 28 These exciting findings motivate us to explore the influence of Mo species for noble metal catalysts in alkaline HER. 6,26,29−31 Heterostructures comprised of conductive substrates and encapsulated active particles are regarded as ideal candidates to improve the stability and tailor the electronic structures between the interfaces of two components.…”

Section: Introductionmentioning

confidence: 99%

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IrMo Nanocluster-Doped Porous Carbon Electrocatalysts Derived from Cucurbit[6]uril Boost Efficient Alkaline Hydrogen Evolution

et al. 2023

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Electrocatalysts based on noble metals have been proven efficient for high-purity hydrogen production. However, the sluggish kinetics of the hydrogen evolution reaction (HER) in alkaline media caused by high water dissociation energy largely hampers this electrochemical process. To improve the electrocatalytic activity, we fabricate an effective porous carbon matrix derived from cucurbit[6]uril using a template-free method to support iridium–molybdenum (IrMo) nanoclusters. As proof of concept, the resulting IrMo-doped carbon electrocatalyst (IrMo-CBC) was found to boost the alkaline HER significantly. Owing to the unique in-plane hole structure and the nitrogen-rich backbone of cucurbit[6]uril as well as the ultrafine IrMo nanoclusters, IrMo-CBC exhibits pronounced alkaline HER activity with an extremely low overpotential of 12 mV at 10 mA cm–2, an ultrasmall Tafel slope (28.06 mV dec–1), a superior faradic efficiency (98%), and a TOF of 11.6 H2 s–1 at an overpotential of 50 mV, outperforming most iridium-based electrocatalysts and commercial Pt/C.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

IrMo Nanocluster-Doped Porous Carbon Electrocatalysts Derived from Cucurbit[6]uril Boost Efficient Alkaline Hydrogen Evolution

et al. 2023

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“…36–38 Water molecules are strongly absorbed by the polar surface of FeOCl, and then dissociate into H + and hydroxyl groups. 38,39 Therefore, it is reasonable to speculate that the dissolution of iron may be related to the interaction of active chloride ions and water molecules on the surface of the FeOCl surface-active chloride ions in promoting iron dissolution. Chloride ions were found in the FeOCl/H 2 O system (Fig.…”

Section: Resultsmentioning

confidence: 99%

Real roles of FeOCl nanosheets in Fenton process

Chen,

Wen,

Huang

et al. 2023

Environ. Sci.: Nano

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“…When compared with individual Fe atom, the region between S and Fe prefers to form covalent bonds by sharing electrons. [ 26 ] We can speculate that the S atom is beneficial to form an electron‐rich region around Fe center due to the electron‐withdrawing effect triggered by S atom. Bader charge distribution analysis suggests the enhanced charge transfer and electronegativity, further implying a strong interaction between N,S‐doped carbon and FePc.…”

Section: Resultsmentioning

confidence: 99%

Electronic Structure Regulation of Iron Phthalocyanine Induced by Anchoring on Heteroatom‐Doping Carbon Sphere for Efficient Oxygen Reduction Reaction and Al–Air Battery

Luo

Chen

Xue

et al. 2021

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Aluminum–air batteries (AABs) are deemed as a potential clean energy storage device. However, exploiting high‐efficiency and stable oxygen reduction reaction (ORR) electrocatalysts in AABs is still a challenge. Iron phthalocyanine (FePc) shows a great prospect in ORR but still far from Pt‐based catalysts. Here, the hybrid electrocatalysts of monolayer FePc and hollow N,S‐doped carbon spheres (HNSCs) are innovatively constructed through π–π stacking to achieve high dispersion. The resulting FePc@HNSC catalyst exhibits an outstanding ORR activity, outperforming that of pristine FePc and even most Fe‐based catalysts reported to date. Moreover, the AAB using FePc@HNSC catalyst not only demonstrates a superior power density than the battery with Pt/C, but also displays stable discharge voltages and excellent durability. Furthermore, the theoretical calculations confirm that the charge distribution and d‐band center of the Fe atom in FePc are efficiently optimized by hybrid configuration via the introduction of N,S‐doped carbon substrate. The design leads to an enriched electron density around Fe active sites and significant reduction of energy barrier for OH* formation, which are favorable for the improvement of electrocatalytic ORR performance. This work provides a chance to expand the application of metallic macrocyclic compound electrocatalysts in various energy technologies.

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The role of S and Mo doping on the dissociation of water molecule on FeOCl surface: Experimental and theoretical analysis

Cited by 22 publications

References 39 publications

IrMo Nanocluster-Doped Porous Carbon Electrocatalysts Derived from Cucurbit[6]uril Boost Efficient Alkaline Hydrogen Evolution

IrMo Nanocluster-Doped Porous Carbon Electrocatalysts Derived from Cucurbit[6]uril Boost Efficient Alkaline Hydrogen Evolution

Real roles of FeOCl nanosheets in Fenton process

Electronic Structure Regulation of Iron Phthalocyanine Induced by Anchoring on Heteroatom‐Doping Carbon Sphere for Efficient Oxygen Reduction Reaction and Al–Air Battery

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