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.

scholarly journals Laser induced MoS2/carbon hybrids for hydrogen evolution reaction catalysts

2016 ◽  
Vol 4 (18) ◽  
pp. 6824-6830 ◽  
Author(s):  
Heng Deng ◽  
Chi Zhang ◽  
Yunchao Xie ◽  
Travis Tumlin ◽  
Lily Giri ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Efficiency ◽  
Low Cost ◽  
Direct Laser Writing ◽  
Laser Writing ◽  
Novel Technique ◽  
Direct Laser

The direct laser writing method has emerged as a novel technique for fabricating MoS2/carbon hybrid HER catalysts with low cost, high efficiency, and flexible designability.

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.

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.

Tuning the Edge-Site Activity of 2H Phase MoSe2 for Hydrogen Evolution Reaction via Sulfur Substitution and Strain Engineering

2020 ◽  
Vol 12 (10) ◽  
pp. 1446-1456
Author(s):  
Ziwei Xu ◽  
Guanghui Zhao ◽  
Mingyuan Wang ◽  
Jingjing Liang ◽  
Shahid Hussain ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
High Efficiency ◽  
Low Cost ◽  
Catalytic Efficiency ◽  
Strain Engineering ◽  
Catalyst Design ◽  
Potential Candidate

The 2H phase MoSe2 of high chemical stability and excellent catalytic activity is a promising catalyst for the hydrogen evolution reaction (HER) as a potential candidate, due to its low cost, high efficiency and abundant production. However, the HER catalytic efficiency of MoSe2 largely depends on the activity of reaction sites including the basal plane and the edges, and remains low because only the Mo edge sites are active. Herein, we have calculated the structural stability, catalytic activity, and strain engineering on sulfur substituted MoSe2 catalytic structures (Mo(Se1–xSx)2) by density functional theory. The results demonstrate that most of Mo(Se1–xSx)2 monolayers are thermodynamically stable and the HER activity of the Mo(Se1–xSx)2 monolayers can be effectively tuned by both element substitution and strain engineering with the mechanisms uncovered at the atomic level. This study provides the experiments theoretical references for the novel catalyst design of the hydrogen evolution reaction.

FeP/MoS2 Enriched with Dense Catalytic Sites and High Electrical Conductivity for the Hydrogen Evolution Reaction

2019 ◽  
Vol 7 (21) ◽  
pp. 17671-17681 ◽  
Author(s):  
Munzir H. Suliman ◽  
Alaaldin Adam ◽  
Lei Li ◽  
Ziqi Tian ◽  
Mohammad N. Siddiqui ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Electrical Conductivity ◽  
Catalytic Sites

NiCoP Nanoclusters-Anchored Porous Ti3C2Tx Monolayer as High Performance Hydrogen Evolution Reaction Electrocatalysts

Nanoscale ◽  
2021 ◽  
Author(s):  
Sungmo Kang ◽  
Minjun Kim ◽  
Jeong Bok Lee ◽  
Shiyu Xu ◽  
Clament Sagaya Selvam N. ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Evolution ◽  
Functional Groups ◽  
Hydrogen Evolution Reaction ◽  
High Performance ◽  
High Electrical Conductivity ◽  
Surface Functional Groups ◽  
Promising Candidate ◽  
Metal Free ◽  
Free Hydrogen

MXene has received much attention as a promising candidate for noble metal-free hydrogen evolution reaction (HER) electrocatalysts due to its high electrical conductivity, surface hydrophilicity, abundance of surface functional groups,...

Hierarchical FeCo2S4@CoFe layered double hydroxide on Ni foam as a bifunctional electrocatalyst for overall water splitting

2020 ◽  
Vol 10 (5) ◽  
pp. 1292-1298 ◽  
Author(s):  
Yunxia Huang ◽  
Xiaojuan Chen ◽  
Shuaipeng Ge ◽  
Qiqi Zhang ◽  
Xinran Zhang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Hydrogen Evolution Reaction ◽  
Oxygen Evolution Reaction ◽  
High Efficiency ◽  
Low Cost ◽  
Water Electrolysis ◽  
Ni Foam ◽  
Bifunctional Electrocatalyst ◽  
Double Hydroxide

Designing high-efficiency and low-cost bifunctional electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is of great significance to produce hydrogen by water electrolysis.

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.

Cobalt doping of FePS3 promotes intrinsic active sites for the efficient hydrogen evolution reaction

Nanoscale ◽  
2020 ◽  
Vol 12 (27) ◽  
pp. 14459-14464 ◽  
Author(s):  
Shuang Wang ◽  
Beibei Xiao ◽  
Shijie Shen ◽  
Kai Song ◽  
Zhiping Lin ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Theoretical Calculations ◽  
Cobalt Doping

High HER activity FePS3 was constructed by doping of cobalt based on theoretical calculations that Co dopants improve H affinity on P sites and electrical conductivity.

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