scholarly journals Machine-Learning Assisted Exploration: Toward the Next-Generation Catalyst for Hydrogen Evolution Reaction

2021 ◽  
Author(s):  
Sichen Wei ◽  
Soojung Baek ◽  
Hongyan Yue ◽  
Maomao Liu ◽  
Seok Joon Yun ◽  
...  
Keyword(s):  
Machine Learning ◽  
Electron Microscope ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Electrochemical Characterizations ◽  
Bayesian Optimization ◽  
Material Structure ◽  
Hydrogen Energy ◽  
X Ray ◽  
Mos2 Catalyst

Abstract The development of active catalysts for hydrogen evolution reaction (HER) made from low-cost materials constitutes a crucial challenge in the utilization of hydrogen energy. Earth-abundant molybdenum disulfide (MoS2) has been discovered recently with good activity and stability for HER. In this report, we employ a hydrothermal technique for MoS2 synthesis which is a cost-effective and environmentally friendly approach and has the potential for future mass production. Machine-learning (ML) techniques are built and subsequently used within a Bayesian Optimization framework to validate the optimal parameter combinations for synthesizing high-quality MoS2 catalyst within the limited parameter space. Compared with the heavy-labor and time-consuming trial-and-error approach, the ML techniques provide a more efficient toolkit to assist exploration of the most effective HER catalyst in hydrothermal synthesis. To investigate the structure-property relationship, scanning electron microscope (SEM), transmission electron microscope (TEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and various electrochemical characterizations have been conducted to investigate the superiority of the ML validated optimized sample. A strong correlation between the material structure and the HER performance has been observed for the optimized MoS2 catalyst.

Preparation of Ni-Doped MoS2 Microsphere and its Superior Electrocatalytic Hydrogen Evolution Ability

2013 ◽  
Vol 871 ◽  
pp. 206-210 ◽  
Author(s):  
Yue Chan Xie ◽  
Yue Ming Li
Keyword(s):  
Electron Microscopy ◽  
Scanning Electron Microscopy ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Undoped Sample ◽  
Cathodic Current ◽  
X Ray ◽  
Effective Hydrogen ◽  
Scanning Electron ◽  
Mos2 Catalyst

To find a cheap and effective hydrogen evolution reaction catalyst, a series of Ni-doped MoS2 microspheres consisting of MoS2 nanosheets have been prepared via hydrothermal synthesis and characterized by scanning electron microscopy (SEM), and X-ray powder diffraction (XRD). Their performance as electrochemical hydrogen evolution reaction (HER) catalyst was studied. It is found that the Ni-doped MoS2 exhibited superior electrocatalytic activity in the HER to undoped MoS2 catalysts. The overpotential of Ni-doped MoS2 has decreased compared with that of undoped sample, indicating an improved activity in HER. Furthermore, the cathodic current for the Ni-doped MoS2 catalyst is about 9 times as much as that for undoped MoS2. Based on our findings, the resulting Ni-doped MoS2 might be promising inexpensive alternative to platinum catalysts in hydrogen production.

scholarly journals 3D Urchin-Like CuO Modified W18O49 Nanostructures for Promoted Photocatalytic Hydrogen Evolution under Visible Light Irradiation

Nanomaterials ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 104
Author(s):  
Hongyu Ma ◽  
Yaqi Tan ◽  
Zhifei Liu ◽  
Jianhong Wei ◽  
Rui Xiong
Keyword(s):  
Photocatalytic Activity ◽  
Electron Microscope ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
Active Sites ◽  
Value Added ◽  
Thermal Method ◽  
Hydrogen Energy ◽  
Photocatalytic Hydrogen Evolution ◽  
X Ray

Photocatalytic hydrogen evolution is a promising “green chemistry” route driven by sunlight for the direct water splitting into value-added hydrogen energy. Herein, with the object of exploring the effect of CuO loading on W18O49 photocatalytic activity, a 3D Urchin-like CuO modified W18O49 (CuO/W18O49) microspheres with different CuO loadings were synthesized via thermochemical precipitation combined with solvent-thermal method. The obtained CuO/W18O49 microspheres were analyzed by means of X-ray diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS) and photoluminescence (PL), etc. The results infer that the urchin-like 3D morphology with a high surface area and abundant 1D nanowires promotes electron transfer, the introduction of CuO further increases the number of active sites, thereby ensuring fast interfacial charge transfer to improve photocatalytic performance. During photocatalytic H2 evolution from water splitting, 5 wt.% CuO/W18O49 shows the optimal performance, the H2 yield is almost 3.22 times that of the undoped counterparts. This work presents that oxygen-vacancy-rich heterojunction nanocomposites can be used as a new strategy to design materials with high photocatalytic activity.

scholarly journals Engineering Ruthenium-Based Electrocatalysts for Effective Hydrogen Evolution Reaction

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Yingjie Yang ◽  
Yanhui Yu ◽  
Jing Li ◽  
Qingrong Chen ◽  
Yanlian Du ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Rational Design ◽  
Energy System ◽  
Structure Design ◽  
Single Atom ◽  
Research Progress ◽  
Pure Hydrogen ◽  
Hydrogen Energy ◽  
Practical Applications

AbstractThe investigation of highly effective, durable, and cost-effective electrocatalysts for the hydrogen evolution reaction (HER) is a prerequisite for the upcoming hydrogen energy society. To establish a new hydrogen energy system and gradually replace the traditional fossil-based energy, electrochemical water-splitting is considered the most promising, environmentally friendly, and efficient way to produce pure hydrogen. Compared with the commonly used platinum (Pt)-based catalysts, ruthenium (Ru) is expected to be a good alternative because of its similar hydrogen bonding energy, lower water decomposition barrier, and considerably lower price. Analyzing and revealing the HER mechanisms, as well as identifying a rational design of Ru-based HER catalysts with desirable activity and stability is indispensable. In this review, the research progress on HER electrocatalysts and the relevant describing parameters for HER performance are briefly introduced. Moreover, four major strategies to improve the performance of Ru-based electrocatalysts, including electronic effect modulation, support engineering, structure design, and maximum utilization (single atom) are discussed. Finally, the challenges, solutions and prospects are highlighted to prompt the practical applications of Ru-based electrocatalysts for HER.

scholarly journals A Mini Review on Doped Nickel-Based Electrocatalysts for Hydrogen Evolution Reaction

Energies ◽  
2020 ◽  
Vol 13 (18) ◽  
pp. 4651
Author(s):  
Yilin Deng ◽  
Wei Lai ◽  
Bin Xu
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Water Electrolysis ◽  
Energy Resources ◽  
Alkaline Media ◽  
Hydrogen Energy ◽  
Heteroatom Doping ◽  
Highly Active ◽  
Production Of Hydrogen

The energy crisis and environmental pollution have attracted much attention and have promoted researches on clean and sustainable hydrogen energy resources. With the help of highly active and stable transition metal nickel-based catalysts, the production of hydrogen from water electrolysis from electrolyzed water has become an inexpensive and efficient strategy for generating hydrogen energy. In recent years, heteroatom doping has been found to be an effective strategy to improve the electrocatalytic hydrogen evolution reaction (HER) performances of nickel-based catalysts in acidic, neutral, and alkaline media. This review will highlight many recent works of inexpensive and readily available heteroatom-doped nickel-based HER catalysts. The evaluation methods for the performances of HER catalyst will be briefly described, and the role of heteroatom doping and its application in nickel-based catalyst will be summarized. This article will also point out some heteroatom doping strategies, which may provide references and inspire the design of other catalysts with dopants.

scholarly journals Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yamei Sun ◽  
Ziqian Xue ◽  
Qinglin Liu ◽  
Yaling Jia ◽  
Yinle Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Catalyst Design ◽  
Single Atom ◽  
Hydrogen Energy ◽  
Structure Of Metal ◽  
Metal Organic

AbstractDeveloping high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu0.13-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu0.13-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm−2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H2O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.

Amorphous phosphorus-doped MoS2 catalyst for efficient hydrogen evolution reaction

2019 ◽  
Vol 30 (20) ◽  
pp. 205401 ◽  
Author(s):  
Dezhi Wang ◽  
Yingying Xie ◽  
Zhuangzhi Wu
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Phosphorus Doped ◽  
Mos2 Catalyst

Confinement of Pt NPs by Hollow-Porous-Carbon-Sphere via Pore Regulation with Promoted Activity and Durability in Hydrogen Evolution Reaction

Nanoscale ◽  
2021 ◽  
Author(s):  
Zhuofan Gan ◽  
Chengyong Shu ◽  
Chengwei Deng ◽  
Wei Du ◽  
Bo HUANG ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Water Splitting ◽  
Noble Metal ◽  
Hydrogen Evolution Reaction ◽  
Porous Carbon ◽  
Specific Activity ◽  
Carbon Sphere ◽  
Hydrogen Energy ◽  
Noble Metal Catalysts ◽  
Electrochemical Water Splitting

Electrochemical water splitting is promising method to generate pollution-free and sustainable hydrogen energy. However, the specific activity and durability of noble metal catalysts is the main hindrance to hydrogen evolution...

scholarly journals Amorphous Ni x Co y P-supported TiO2 nanotube arrays as an efficient hydrogen evolution reaction electrocatalyst in acidic solution

2019 ◽  
Vol 10 ◽  
pp. 62-70 ◽  
Author(s):  
Yong Li ◽  
Peng Yang ◽  
Bin Wang ◽  
Zhongqing Liu
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Photoelectron Spectroscopy ◽  
Electrochemical Impedance ◽  
Nanotube Arrays ◽  
Active Surface Area ◽  
X Ray ◽  
Transmission Electron

Bimetallic phosphides have been attracting increasing attention due to their synergistic effect for improving the hydrogen evolution reaction as compared to monometallic phosphides. In this work, NiCoP modified hybrid electrodes were fabricated by a one-step electrodeposition process with TiO2 nanotube arrays (TNAs) as a carrier. X-ray diffraction, transmission electron microscopy, UV–vis diffuse reflection spectroscopy, X-ray photoelectron spectroscopy and scanning transmission electron microscopy/energy-dispersive X-ray spectroscopy were used to characterize the physiochemical properties of the samples. The electrochemical performance was investigated by cyclic voltammetry, linear sweep voltammetry, and electrochemical impedance spectroscopy. We show that after incorporating Co into Ni–P, the resulting Ni x Co y P/TNAs present enhanced electrocatalytic activity due to the improved electron transfer and increased electrochemically active surface area (ECSA). In 0.5 mol L−1 H2SO4 electrolyte, the Ni x Co y P/TNAs (x = 3.84, y = 0.78) demonstrated an ECSA value of 52.1 mF cm−2, which is 3.8 times that of Ni–P/TNAs (13.7 mF cm−2). In a two-electrode system with a Pt sheet as the anode, the Ni x Co y P/TNAs presented a bath voltage of 1.92 V at 100 mA cm−2, which is an improvment of 79% over that of 1.07 V at 10 mA cm−2.

Hydrothermal Synthesis of Few-Layer and Edge-Rich Cobalt-Doped Molybdenum Selenide/Nitrogenated Graphene Composite and Investigation of Its Electrocatalytic Activity for Hydrogen Evolution Reaction

NANO ◽  
2016 ◽  
Vol 11 (10) ◽  
pp. 1650107 ◽  
Author(s):  
Ming Ou ◽  
Lin Ma ◽  
Limei Xu ◽  
Zhuomei Yang ◽  
Haizhen Li
Keyword(s):  
Electron Microscopy ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Photoelectron Spectroscopy ◽  
Hydrothermal Route ◽  
X Ray ◽  
Graphene Composite ◽  
Molybdenum Selenide ◽  
Nitrogen Doped Graphene ◽  
Doped Graphene

Cobalt-doped MoSe2/nitrogenated graphene composite has been successfully synthesized via a facile hydrothermal route and is investigated as an electrocatalyst for hydrogen evolution reaction (HER). The as-prepared samples are well characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and Raman spectrum. The results reveal that Co-doped MoSe2 nanosheets which are characteristic of few layers (2–4 layers) and abundant exposed active edge sites are well anchored on the nitrogen-doped graphene sheets to constitute robust composites. When evaluated as catalysts for HER, the obtained composites demonstrate superior electrocatalytic activities toward HER.

scholarly journals Electrodeposition and characterization of Ni-MoO2 composite coatings as cathodes for the hydrogen evolution reaction in alkaline solution

2013 ◽  
Vol 78 (4) ◽  
pp. 549-554 ◽  
Author(s):  
Uros Lacnjevac
Keyword(s):  
Catalytic Activity ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Alkaline Solution ◽  
Electrochemical Impedance ◽  
Composite Coatings ◽  
Theoretical Interpretation ◽  
X Ray ◽  
Polarization Measurements ◽  
Naoh Solution

Composite Ni-MoO2 coatings were prepared and characterized with respect to their possible application as electrocatalysts for the hydrogen evolution reaction (HER) in alkaline solution. The composites were electrodeposited onto Ni meshes from an ammonium chloride Ni solution with suspended MoO2 particles in simulated industrial conditions for production of commercial cathodes. The influence of the concentration of MoO2 particles in the solution and deposition current density on the morphology, chemical and phase composition of obtained coatings was investigated by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). Catalytic activity for the HER of the coatings was examined by polarization measurements in a 32 wt. % NaOH solution at 90?C and compared to the activity of the commercial De Nora?s cathode (DN). It was shown that the most active Ni-MoO2 coating exhibits better polarization characteristics for the HER than the DN cathode. The mechanism of the HER on the specified Ni-MoO2 coating was investigated in 8 mol dm-3 NaOH at 30?C by means of steady-state polarization measurements and an electrochemical impedance spectroscopy (EIS) method. Based on the theoretical interpretation of the experimental data, rate constants of the three individual steps of the HER were determined and the source of catalytic activity of the coating was elucidated.

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