scholarly journals Smart Designs of Mo Based Electrocatalysts for Hydrogen Evolution Reaction

Catalysts ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 2
Author(s):  
Xingyuan Gao ◽  
Huilin Deng ◽  
Qiuping Dai ◽  
Quanlong Zeng ◽  
Shuxian Qiu ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Low Cost ◽  
Clean Energy ◽  
Heteroatom Doping ◽  
Promising Alternative ◽  
Noble Metal Catalysts ◽  
Clean Energy Source ◽  
Catalytic Performances

As a sustainable and clean energy source, hydrogen can be generated by electrolytic water splitting (i.e., a hydrogen evolution reaction, HER). Compared with conventional noble metal catalysts (e.g., Pt), Mo based materials have been deemed as a promising alternative, with a relatively low cost and comparable catalytic performances. In this review, we demonstrate a comprehensive summary of various Mo based materials, such as MoO2, MoS2 and Mo2C. Moreover, state of the art designs of the catalyst structures are presented, to improve the activity and stability for hydrogen evolution, including Mo based carbon composites, heteroatom doping and heterostructure construction. The structure–performance relationships relating to the number of active sites, electron/ion conductivity, H/H2O binding and activation energy, as well as hydrophilicity, are discussed in depth. Finally, conclusive remarks and future works are proposed.

scholarly journals Defect and Doping Engineered Penta-graphene for Catalysis of Hydrogen Evolution Reaction

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Jinbo Hao ◽  
Feng Wei ◽  
Xinhui Zhang ◽  
Long Li ◽  
Chunling Zhang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Noble Metals ◽  
Low Cost ◽  
Water Electrolysis ◽  
Catalytic Performance ◽  
First Principles Calculation ◽  
Electron Charge Density ◽  
Calculation Results

AbstractWater electrolysis is a sustainable and clean method to produce hydrogen fuel via hydrogen evolution reaction (HER). Using stable, effective and low-cost electrocatalysts for HER to substitute expensive noble metals is highly desired. In this paper, by using first-principles calculation, we designed a defect and N-, S-, P-doped penta-graphene (PG) as a two-dimensional (2D) electrocatalyst for HER, and its stability, electronic properties and catalytic performance were investigated. The Gibbs free energy (ΔGH), which is the best descriptor for the HER, is calculated and optimized, the calculation results show that the ΔGH can be 0 eV with C2 vacancies and P doping at C1 active sites, which should be the optimal performance for a HER catalyst. Moreover, we reveal that the larger charge transfer from PG to H, the closer ΔGH is to zero according to the calculation of the electron charge density differences and Bader charges analysis. Ulteriorly, we demonstrated that the HER performance prefers the Volmer–Heyrovsky mechanism in this study.

scholarly journals Surface Modifications of 2D-Ti3C2O2 by Nonmetal Doping for Obtaining High Hydrogen Evolution Reaction Activity: A Computational Approach

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 161
Author(s):  
Fangtao Li ◽  
Xiaoxu Wang ◽  
Rongming Wang
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
High Performance ◽  
Hydrogen Adsorption ◽  
Low Cost ◽  
Level Shift ◽  
High Hydrogen ◽  
Catalytic Active Sites

As a typical two-dimensional (2D) MXene, Ti3C2O2 has been considered as a potential material for high-performance hydrogen evolution reaction (HER) catalyst, due to its anticorrosion and hydrophilic surface. However, it is still a challenge to improve the Ti3C2O2 surficial HER catalytic activity. In this work, we investigated the HER activity of Ti3C2O2 after the surface was doped with S, Se, and Te by the first principles method. The results indicated that the HER activity of Ti3C2O2 is improved after being doped with S, Se, Te because the Gibbs free energy of hydrogen adsorption (ΔGH) is increased from −2.19 eV to 0.08 eV. Furthermore, we also found that the ΔGH of Ti3C2O2 increased from 0.182 eV to 0.08 eV with the doping concentration varied from 5.5% to 16.7%. The HER catalytic activity improvement of Ti3C2O2 is attributed to the local crystal structure distortion in catalytic active sites and Fermi level shift leads to the p-d orbital hybridization. Our results pave a new avenue for preparing a low-cost and high performance HER catalyst.

High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification

2018 ◽  
Vol 6 (10) ◽  
pp. 4271-4278 ◽  
Author(s):  
Pengkun Li ◽  
Jinguo Zhu ◽  
Albertus D. Handoko ◽  
Ruifeng Zhang ◽  
Haotian Wang ◽  
...  
Keyword(s):  
Energy Source ◽  
Transition Metal ◽  
Hydrogen Evolution ◽  
High Throughput ◽  
Hydrogen Evolution Reaction ◽  
Clean Energy ◽  
Clean Energy Source ◽  
Chemical Feedstock

Electrocatalysis has the potential to become a more sustainable approach to generate hydrogen as a clean energy source and chemical feedstock.

scholarly journals WS2–WC–WO3 nano-hollow spheres as an efficient and durable catalyst for hydrogen evolution reaction

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Tuan Van Nguyen ◽  
Ha Huu Do ◽  
Mahider Tekalgne ◽  
Quyet Van Le ◽  
Thang Phan Nguyen ◽  
...  
Keyword(s):  
Transition Metal ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Transition Metal Oxides ◽  
Photoelectron Spectroscopy ◽  
Active Sites ◽  
Low Cost ◽  
Hollow Spheres ◽  
Efficient Catalyst ◽  
X Ray

AbstractTransition metal dichalcogenides (TMDs), transition metal carbides (TMCs), and transition metal oxides (TMOs) have been widely investigated for electrocatalytic applications owing to their abundant active sites, high stability, good conductivity, and various other fascinating properties. Therefore, the synthesis of composites of TMDs, TMCs, and TMOs is a new avenue for the preparation of efficient electrocatalysts. Herein, we propose a novel low-cost and facile method to prepare TMD–TMC–TMO nano-hollow spheres (WS2–WC–WO3 NH) as an efficient catalyst for the hydrogen evolution reaction (HER). The crystallinity, morphology, chemical bonding, and composition of the composite material were comprehensively investigated using X-ray diffraction, Raman spectroscopy, field emission scanning electron microscopy, and X-ray photoelectron spectroscopy. The results confirmed the successful synthesis of the WS2–WC–WO3 NH spheres. Interestingly, the presence of nitrogen significantly enhanced the electrical conductivity of the hybrid material, facilitating electron transfer during the catalytic process. As a result, the WS2–WC–WO3 NH hybrid exhibited better HER performance than the pure WS2 nanoflowers, which can be attributed to the synergistic effect of the W–S, W–C, and W–O bonding in the composite. Remarkably, the Tafel slope of the WS2–WC–WO3 NH spheres was 59 mV dec−1, which is significantly lower than that of the pure WS2 NFs (82 mV dec−1). The results also confirmed the unprecedented stability and superior electrocatalytic performance of the WS2–WC–WO3 NH spheres toward the HER, which opens new avenues for the preparation of low-cost and highly effective materials for energy conversion and storage applications.

Surface-clean, phase-pure multi-metallic carbides for efficient electrocatalytic hydrogen evolution reaction

2019 ◽  
Vol 6 (4) ◽  
pp. 940-947 ◽  
Author(s):  
Shuang Gao ◽  
Hui Chen ◽  
Yipu Liu ◽  
Guo-Dong Li ◽  
Ruiqin Gao ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Noble Metal ◽  
Hydrogen Evolution Reaction ◽  
Low Cost ◽  
Metal Catalysts ◽  
Noble Metal Catalysts ◽  
Highly Active ◽  
Phase Pure

The development of highly active, stable and low-cost non-noble metal catalysts for hydrogen evolution reaction (HER) is extremely imperative.

FeP3 monolayer as a high-efficiency catalyst for hydrogen evolution reaction

2019 ◽  
Vol 7 (44) ◽  
pp. 25665-25671 ◽  
Author(s):  
Shuang Zheng ◽  
Tong Yu ◽  
Jianyan Lin ◽  
Huan Lou ◽  
Haiyang Xu ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
High Efficiency ◽  
Low Cost ◽  
High Electrical Conductivity

An urgent and key problem in hydrogen evolution reaction (HER) is to prepare low-cost catalysts with activity comparable to that of platinum (Pt), an intrinsic large number of active sites, and high electrical conductivity.

Cobaloxime-Based Double Complex Salts as Efficient and Versatile Catalysts for the Light-Driven Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Elisabeth Hofmeister ◽  
Jisoo Woo ◽  
Tobias Ullrich ◽  
Lydia Petermann ◽  
Kevin Hanus ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
Cobalt Complexes ◽  
Spectroscopic Studies ◽  
Double Complex ◽  
Double Complex Salts ◽  
Noble Metal Catalysts ◽  
Reduction Potentials ◽  
Complex Salts

Cobaloximes and their BF<sub>2</sub>-bridged analogues have emerged as promising non-noble metal catalysts for the photocatalytic hydrogen evolution reaction (HER). Herein we report the serendipitous discovery that double complex salts such as [Co(dmgh)<sub>2</sub>py<sub>2</sub>]<sup>+</sup>[Co(dmgBPh<sub>2</sub>)<sub>2</sub>Cl<sub>2</sub>]<sup>-</sup> can be obtained in good yields by treatment of commercially available [Co(dmgh)<sub>2</sub>pyCl] with triarylboranes. A systematic study on the use of such double complex salts and their single salts with simple counterions as photocatalysts revealed HER activities comparable or superior to existing cobaloxime catalysts and suggests ample opportunities for this compound class in catalyst/photosensitizer dyads and immobilized architectures. Preliminary electrochemical and spectroscopic studies indicate that one key advantage of these charged cobalt complexes is that the reduction potentials as well as the electrostatic interaction with charged photosensitizers can be tuned.

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

2019 ◽  
Author(s):  
Xi Yin ◽  
Ling Lin ◽  
Hoon T. Chung ◽  
Ulises Martinez ◽  
Andrew M. Baker ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Low Cost ◽  
Membrane Electrode Assembly ◽  
Carbon Surface ◽  
Membrane Electrode ◽  
Durability Test ◽  
Onset Potential ◽  
Precious Metal Catalysts

Finding a low-cost and stable electrocatalyst for hydrogen evolution reaction (HER) as a replacement for scarce and expensive precious metal catalysts has attracted significant interest from chemical and materials research communities. Here, we demonstrate an organic catalyst based on 2,2’-dipyridylamine (dpa) molecules adsorbed on carbon surface, which shows remarkable hydrogen evolution activity and performance durability in strongly acidic polymer electrolytes without involving any metal. The HER onset potential at dpa adsorbed on carbon has been found to be less than 50 mV in sulfuric acid and in a Nafion-based membrane electrode assembly (MEA). At the same time, this catalyst has shown no performance loss in a 60-hour durability test. The HER reaction mechanisms and the low onset overpotential in this system are revealed based on electrochemical study. Density functional theory (DFT) calculations suggest that the pyridyl-N functions as the active site for H adsorption with a free energy of -0.13 eV, in agreement with the unusually low onset overpotential for an organic molecular catalyst.<br>

Bifunctional single-atomic Mn sites for energy-efficient hydrogen production

Nanoscale ◽  
2021 ◽  
Author(s):  
Xianyun Peng ◽  
Junrong Hou ◽  
Yuying Mi ◽  
Jiaqiang Sun ◽  
Gaocan Qi ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Energy Saving ◽  
Hydrogen Evolution Reaction ◽  
Energy Efficient ◽  
Low Cost ◽  
Clean Energy ◽  
H2 Production ◽  
Energy Technology ◽  
Highly Active ◽  
Clean Energy Technology

Electrocatalytic hydrogen evolution reaction (HER) for H2 production is essential for future renewable and clean energy technology. Screening energy-saving, low-cost, and highly active catalysts efficiently, however, is still a grand...

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