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 A monodispersed CuPt alloy: synthesis and its superior catalytic performance in the hydrogen evolution reaction over a full pH range

RSC Advances ◽  
2021 ◽  
Vol 11 (21) ◽  
pp. 12470-12475
Author(s):  
Xinmei Liu ◽  
Chen Liang ◽  
Wenlong Yang ◽  
Chunyang Yang ◽  
Jiaqi Lin ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
High Stability ◽  
Low Cost ◽  
Catalytic Performance ◽  
Ph Range

An effective approach to achieve the low cost and high stability of electro-catalysts for HER.

scholarly journals Electrochemically Induced In-Situ Generated Co(OH)2 Nanoplates to Promote the Volmer Process Toward Efficient Alkaline Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Hong Liu ◽  
Jian-Jun Wang ◽  
Li-Wen Jiang ◽  
Yuan Huang ◽  
Bing Bing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Water Dissociation ◽  
Alkaline Water Electrolysis ◽  
Additional Water ◽  
Dissociation Step ◽  
Insight Into

<p>Hydrogen production via alkaline water electrolysis is of significant interest. However, the additional water dissociation step makes the Volmer step a relatively more sluggish kinetics and consequently leads to a slower reaction rate than that in acidic solution. Herein, we demonstrate an effective strategy that Co(OH)<sub>2</sub> can promote the Volmer process by accelerating water dissociation and enhance the electrocatalytic performance of CoP toward alkaline hydrogen evolution reaction. The Co(OH)<sub>2</sub> nanoplates are electrochemically induced in-situ generated to form a nanotree-like structure with porous CoP nanowires, endowing the hybrid electrocatalyst with superior charge transportation, more exposed active sites, and enhanced reaction kinetics. This strategy may be extended to <a></a><a>other phosphides and chalcogenides </a>and provide insight into the design and fabrication of efficient alkaline HER catalysts.</p>

scholarly journals Electrochemically Induced In-Situ Generated Co(OH)2 Nanoplates to Promote the Volmer Process Toward Efficient Alkaline Hydrogen Evolution Reaction

2020 ◽  
Author(s):  
Hong Liu ◽  
Jian-Jun Wang ◽  
Li-Wen Jiang ◽  
Yuan Huang ◽  
Bing Bing Chen ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Water Electrolysis ◽  
Water Dissociation ◽  
Alkaline Water Electrolysis ◽  
Additional Water ◽  
Dissociation Step ◽  
Insight Into

<p>Hydrogen production via alkaline water electrolysis is of significant interest. However, the additional water dissociation step makes the Volmer step a relatively more sluggish kinetics and consequently leads to a slower reaction rate than that in acidic solution. Herein, we demonstrate an effective strategy that Co(OH)<sub>2</sub> can promote the Volmer process by accelerating water dissociation and enhance the electrocatalytic performance of CoP toward alkaline hydrogen evolution reaction. The Co(OH)<sub>2</sub> nanoplates are electrochemically induced in-situ generated to form a nanotree-like structure with porous CoP nanowires, endowing the hybrid electrocatalyst with superior charge transportation, more exposed active sites, and enhanced reaction kinetics. This strategy may be extended to <a></a><a>other phosphides and chalcogenides </a>and provide insight into the design and fabrication of efficient alkaline HER catalysts.</p>

scholarly journals Revealing the effect of electrocatalytic performance boost during hydrogen evolution reaction on free-standing SWCNT film electrode

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Karolina Kordek-Khalil ◽  
Dawid Janas ◽  
Piotr Rutkowski
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Large Scale ◽  
Carbon Nanomaterials ◽  
Low Cost ◽  
High Surface ◽  
Water Electrolysis ◽  
Free Standing ◽  
Highly Active ◽  
Electrocatalytic Performance

AbstractLarge-scale sustainable hydrogen production by water electrolysis requires a highly active yet low-cost hydrogen evolution reaction (HER) electrocatalyst. Conductive carbon nanomaterials with high surface areas are promising candidates for this purpose. In this contribution, single-walled carbon nanotubes (SWCNTs) are assembled into free-standing films and directly used as HER electrodes. During the initial 20 h of electrocatalytic performance in galvanostatic conditions, the films undergo activation, which results in a gradual overpotential decrease to the value of 225 mV. Transient physicochemical properties of the films at various activation stages are characterized to reveal the material features responsible for the activity boost. Results indicate that partial oxidation of iron nanoparticles encapsulated in SWCNTs is the major contributor to the activity enhancement. Furthermore, besides high activity, the material, composed of only earth-abundant elements, possesses exceptional performance stability, with no activity loss for 200 h of galvanostatic performance at − 10 mA cm−2. In conclusion, the work presents the strategy of engineering a highly active HER electrode composed of widely available elements and provides new insights into the origins of electrocatalytic performance of SWCNT-based materials in alkaline HER.

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 STUDY ON SYNTHESIS AND CHARACTERIZATION OF ELECTROCATALYST CONTAINING PLATINUM, PALLADIUM, NICKEL FOR HYDROGEN EVOLUTION REACTION IN ALKALINE MEDIUM

2020 ◽  
Vol 63 (2) ◽  
pp. 52-58
Author(s):  
Nguyen Thi Cam Ha ◽  
Nguyen Huu Tho ◽  
Nguyen Van Thuc ◽  
Huynh Thi Lan Phuong
Keyword(s):  
Hydrogen Evolution ◽  
Alkaline Medium ◽  
Hydrogen Evolution Reaction ◽  
Noble Metals ◽  
Linear Sweep Voltammetry ◽  
Water Electrolysis ◽  
Reversible Capacity ◽  
Alkaline Media ◽  
Carbon Substrate ◽  
Linear Sweep

Several kinds of electrocatalyst based on platinum, palladium, and nickel with glassy carbon substrate were successfully synthesized by electrodeposition method, and then applied for water electrolysis in alkaline media. Surface morphology of materials was investigated with scanning electron microscopy method. Energy-dispersive X-ray spectroscopy was used to find the content of each metal in bimetallic materials. The result showed that the number of noble metals was moderately decreased while the catalytic activities were slightly better than pure metal electrodes. Linear sweep voltammetry measurement was taken in KOH 1M solution to find the overvoltage of hydrogen evolution reaction and cyclic voltammetry method in 0.01M K3[Fe(CN)6]: 0.01M K4[Fe(CN)6] in 0.1M KOH was used to determine the reversible capacity of material electrodes. The linear sweep voltammetry measurements confirmed that the activities of new catalysts are higher than the origin materials. The binary catalyst of Pt-Ni can replace platinum for hydrogen evolution reaction in alkaline medium. Notably, the replacement of platinum atoms with palladium and nickel atoms, and the combination of good properties of them leads to improve the catalytic activity, and in the same time to decrease the catalyst cost. Once again, the electrochemical parameters open up a new prospect for the hydrogen produce.

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.

Dynamic evolution of isolated Ru–FeP atomic interface sites for promoting the electrochemical hydrogen evolution reaction

2020 ◽  
Vol 8 (43) ◽  
pp. 22607-22612
Author(s):  
Huishan Shang ◽  
Zhenghang Zhao ◽  
Jiajing Pei ◽  
Zhuoli Jiang ◽  
Danni Zhou ◽  
...  
Keyword(s):  
Bond Length ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Active Sites ◽  
Catalytic Performance ◽  
Dynamic Evolution ◽  
Atomic Interface

An isolated Ru-modified FeP catalyst was designed with boosted catalytic performance for the hydrogen evolution reaction. Further, we revealed that the bond-length-extended isolated Ru(+3)–P4–Fe serve as active sites through operando XAS analysis.

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.

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