Mn-Doped Bi2O3 Nanosheets from a Deep Eutectic Solvent toward Enhanced Electrocatalytic N2 Reduction

Hao, Ying; Bi, Jiahui; Xu, Hui; Wu, Gaobang; Wu, Xiaonan; Hao, Jingcheng; Li, Zhonghao

doi:10.1021/acssuschemeng.2c00923

Cited by 21 publications

(25 citation statements)

References 56 publications

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“…Supporting Information Figure SF 23 represents such prediction for the best catalysts which shows HER > NRR for these catalysts and selection for the solvents for the process remains priority. The use of some aprotic solvents can supress HER and it can be used as a efficient catalyst in their presence as compared to protic solvents [88–91] . The solvents can regulate the proton concentration, thereby supressing the HER activity.…”

Section: Resultsmentioning

confidence: 99%

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Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

et al. 2023

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The most successful electrochemical conversion of ammonia from dinitrogen molecule reported to date is through a Li mediated mechanism. In the framework of the above fact and that Li anchored graphene is an experimentally feasible system, the present work is a computational experiment to identify the potential of Li anchored graphene as a catalyst for N2 to NH3 conversion as a function of (a) minimum number of Li atoms needed for anchoring on graphene sheets and (b) the role of chemical modification of graphene surfaces. The studies bring forth an understanding that Li anchored graphene sheets are potential catalysts for ammonia conversion with preferential adsorption of N2 through end‐on configuration on Li atoms anchored on doped and pristine graphene surfaces. This mode of adsorption being characteristic of Nitrogen Reduction Reaction (NRR) through enzymatic pathway, examination of the same followed by analysis of electronic properties demonstrates that tri‐Li atoms (Tri Atom Catalysts, TACs) are more efficient as catalysts for NRR as compared to two Li atoms (Di Atom Catalysts, DACs). Either way, the rate determining step was found to be *NH2→*NH3 step (mixed pathway) with ΔGmax=1.02 eV and *NH2−*NH3→*NH2 step (enzymatic pathway) with ΔGmax=1.11 eV for 1B doped TAC and DAC on graphene sheet, respectively. Consequently, this work identifies the viability of Li anchored graphene based 2‐D sheets as hetero‐atom catalyst for NRR.

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Section: Resultsmentioning

confidence: 99%

“…The use of some aprotic solvents can supress HER and it can be used as a efficient catalyst in their presence as compared to protic solvents. [88][89][90][91] The solvents can regulate the proton concentration, thereby supressing the HER activity.…”

Section: Chemphyschemmentioning

confidence: 99%

Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

et al. 2023

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“…According to Figures S2 and S3, the phase purities of Co(OH) 2 -CC and CoS 2 -CC belong to Co(OH) 2 and CoS 2 , respectively. Their morphologies are shown in Figure S4 by scanning electron microscopy (SEM). − , From the morphology of CoS 2 -CC (Figure S4c), lots of CoS 2 nanoneedles are grown on conducting substrates (CC). Figure S4d further indicates that the diameter of such nanoneedles is about 500 nm.…”

Section: Resultsmentioning

confidence: 99%

Engineering Rich Active Sites and Efficient Water Dissociation for Ni-Doped MoS₂/CoS₂ Hierarchical Structures toward Excellent Alkaline Hydrogen Evolution

et al. 2022

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Besides improving charge transfer, there are two key factors, such as increasing active sites and promoting water dissociation, to be deeply investigated to realize high-performance MoS 2 -based electrocatalysts in alkaline hydrogen evolution reaction (HER). Herein, we have demonstrated the synergistic engineering to realize rich unsaturated sulfur atoms and activated O−H bonds toward the water for Ni-doped MoS 2 /CoS 2 hierarchical structures by an approach to Ni doping coupled with in situ sulfurizing for excellent alkaline HER. In this work, the Ni-doped atoms are evolved into Ni(OH) 2 during alkaline HER. Interestingly, the extra unsaturated sulfur atoms will be modulated into MoS 2 nanosheets by breaking Ni−S bonds during the formation of Ni(OH) 2 . On the other hand, the higher the mass of the Ni precursor (m Ni ) for the fabrication of our samples, the more Ni(OH) 2 is evolved, indicating a stronger ability for water dissociation of our samples during alkaline HER. Our results further reveal that regulating m Ni is crucial to the HER activity of the assynthesized samples. By regulating m Ni to 0.300 g, a balance between increasing active sites and promoting water dissociation is achieved for the Ni-doped MoS 2 /CoS 2 samples to boost alkaline HER. Consequently, the optimal samples present the highest HER activity among all counterparts, accompanied by reliable long-term stability. This work will promise important applications in the field of electrocatalytic hydrogen evolution in alkaline environments.

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“…As indicated by the DFT calculations, K + could not only lower the free energy change (Δ G ) for the potential-determining step (PDS) (Figure a) but also inhibit the proton transfer from the bulk solution to the electrode surface (Figure b), which contributed to a selective N 2 RR process with an extremely high FE of 66% . The alloying strategy was further developed to synthesize BiNi and Pd 3 Bi electrocatalysts, which could optimize the adsorption and activation of N 2 . , Apart from low-valence metallic Bi, many bismuth-based compounds have been explored for electrocatalytic N 2 RR, such as Bi 2 O 3 , − Bi 2 S 3 , , Bi 2 Te 3 , Bi/Bi 2 O 2 CO 3, Bi 2 WO 6 , , Bi 2 MoO 6 , BiVO 4 , Bi 4 V 2 O 11 , and Bi 25 FeO 40 . However, fully oxidized Bi is inactive for electrocatalytic N 2 RR, as indicated by DFT calculation .…”

Section: P-block-element-based Electrocatalysts For Nh3 Synthesismentioning

confidence: 99%

Emerging p-Block-Element-Based Electrocatalysts for Sustainable Nitrogen Conversion

Liu

Lee

et al. 2022

ACS Nano

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Artificial nitrogen conversion reactions, such as the production of ammonia via dinitrogen or nitrate reduction and the synthesis of organonitrogen compounds via C−N coupling, play a pivotal role in the modern life. As alternatives to the traditional industrial processes that are energy-and carbon-emission-intensive, electrocatalytic nitrogen conversion reactions under mild conditions have attracted significant research interests. However, the electrosynthesis process still suffers from low product yield and Faradaic efficiency, which highlight the importance of developing efficient catalysts. In contrast to the transition-metal-based catalysts that have been widely studied, the p-block-element-based catalysts have recently shown promising performance because of their intriguing physiochemical properties and intrinsically poor hydrogen adsorption ability. In this Perspective, we summarize the latest breakthroughs in the development of p-block-elementbased electrocatalysts toward nitrogen conversion applications, including ammonia electrosynthesis from N 2 reduction and nitrate reduction and urea electrosynthesis using nitrogen-containing feedstocks and carbon dioxide. The catalyst design strategies and the underlying reaction mechanisms are discussed. Finally, major challenges and opportunities in future research directions are also proposed.

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Mn-Doped Bi₂O₃ Nanosheets from a Deep Eutectic Solvent toward Enhanced Electrocatalytic N₂ Reduction

Cited by 21 publications

References 56 publications

Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

Engineering Rich Active Sites and Efficient Water Dissociation for Ni-Doped MoS₂/CoS₂ Hierarchical Structures toward Excellent Alkaline Hydrogen Evolution

Emerging p-Block-Element-Based Electrocatalysts for Sustainable Nitrogen Conversion

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Mn-Doped Bi2O3 Nanosheets from a Deep Eutectic Solvent toward Enhanced Electrocatalytic N2 Reduction

Cited by 21 publications

References 56 publications

Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

Can Li Atoms Anchored on Boron‐ and Nitrogen‐Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

Engineering Rich Active Sites and Efficient Water Dissociation for Ni-Doped MoS2/CoS2 Hierarchical Structures toward Excellent Alkaline Hydrogen Evolution

Emerging p-Block-Element-Based Electrocatalysts for Sustainable Nitrogen Conversion

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Product

Resources

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Mn-Doped Bi₂O₃ Nanosheets from a Deep Eutectic Solvent toward Enhanced Electrocatalytic N₂ Reduction

Engineering Rich Active Sites and Efficient Water Dissociation for Ni-Doped MoS₂/CoS₂ Hierarchical Structures toward Excellent Alkaline Hydrogen Evolution