检索结果-南通市图书馆

Machine Learning-Assisted Low-Dimensional Electrocatalysts Design for hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2023年第12期15卷 161-187页

作者： Jin Li Naiteng Wu Jian Zhang Hong‑Hui Wu Kunming Pan Yingxue Wang Guilong Liu Xianming Liu Zhenpeng Yao Qiaobao Zhang College of Chemistry and Chemical Engineering and Henan Key Laboratory of Function‑Oriented Porous MaterialsLuoyang Normal UniversityLuoyang 471934People’s Republic of China New Energy Technology Engineering Lab of Jiangsu Province College of ScienceNanjing University of Posts and Telecommunications(NUPT)Nanjing 210023People’s Republic of China School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083People’s Republic of China Department of Chemistry University of Nebraska-LincolnLincolnNE 8588USA Henan Key Laboratory of High‑Temperature Structural and Functional Materials National Joint Engineering Research Center for Abrasion Control and Molding of Metal MaterialsHenan University of Science and TechnologyLuoyang 471003People’s Republic of China National Engineering Laboratory for Risk Perception and Prevention Beijing 100041People’s Republic of China Center of hydrogen Science Shanghai Jiao Tong UniversityShanghai 200000People’s Republic of China State Key Laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200000People’s Republic of China State Key Laboratory of Physical Chemistry of Solid Surfaces College of MaterialsXiamen UniversityXiamen 361005People’s Republic of China

Efficient electrocatalysts are crucial for hydrogen generation from electrolyzing water.Nevertheless,the conventional"trial and error"method for producing advanced electrocatalysts is not only cost-ineffective but also time-consuming and labor-intensive.Fortunately,the advancement of machine learning brings new opportunities for electrocatalysts discovery and design.By analyzing experimental and theoretical data,machine learning can effectively predict their hydrogen evolution reaction(HER)performance.This review summarizes recent developments in machine learning for low-dimensional electrocatalysts,including zero-dimension nanoparticles and nanoclusters,one-dimensional nanotubes and nanowires,two-dimensional nanosheets,as well as other electrocatalysts.In particular,the effects of descriptors and algorithms on screening low-dimensional electrocatalysts and investigating their HER performance are highlighted.Finally,the future directions and perspectives for machine learning in electrocatalysis are discussed,emphasizing the potential for machine learning to accelerate electrocatalyst discovery,optimize their performance,and provide new insights into electrocatalytic mechanisms.Overall,this work offers an in-depth understanding of the current state of machine learning in electrocatalysis and its potential for future research.

关键词： Machine learning hydrogen evolution reaction Low-dimensional electrocatalyst Descriptor Algorithm

Deformable Catalytic Material Derived from Mechanical Flexibility for hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2024年第2期16卷 287-311页

作者： Fengshun Wang Lingbin Xie Ning Sun Ting Zhi Mengyang Zhang Yang Liu Zhongzhong Luo Lanhua Yi Qiang Zhao Longlu Wang College of Electronic and Optical Engineering&College of Flexible Electronics(Future Technology) Nanjing University of Posts&Telecommunications(NJUPT)9 WenyuanNanjing 210023People’s Republic of China Key Laboratory of Environmentally Friendly Chemistry and Applications of Ministry of Education School of ChemistryXiangtan UniversityXiangtan 411105People’s Republic of China State Key Laboratory of Organic Electronics and Information Displays&Jiangsu Key Laboratory for Biosensors Institute of Advanced Materials(IAM)&Institute of Flexible Electronics(Future Technology)Nanjing University of Posts&Telecommunications9 WenyuanNanjing 210023People’s Republic of China

Deformable catalytic material with excellent flexible structure is a new type of catalyst that has been applied in various chemical reactions,especially electrocatalytic hydrogen evolution reaction(HER).In recent years,deformable catalysts for HER have made great progress and would become a research hotspot.The catalytic activities of deformable catalysts could be adjustable by the strain engineering and surface reconfiguration.The surface curvature of flexible catalytic materials is closely related to the electrocatalytic HER properties.Here,firstly,we systematically summarized self-adaptive catalytic performance of deformable catalysts and various micro–nanostructures evolution in catalytic HER process.Secondly,a series of strategies to design highly active catalysts based on the mechanical flexibility of lowdimensional nanomaterials were summarized.Last but not least,we presented the challenges and prospects of the study of flexible and deformable micro–nanostructures of electrocatalysts,which would further deepen the understanding of catalytic mechanisms of deformable HER catalyst.

关键词： Deformable catalytic material Micro-nanostructures evolution Mechanical flexibility hydrogen evolution reaction

Exploring the Cation Regulation Mechanism for Interfacial Water Involved in the hydrogen evolution reaction by In Situ Raman Spectroscopy

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2024年第3期16卷 303-312页

作者： Xueqiu You Dongao Zhang Xia‑Guang Zhang Xiangyu Li Jing‑Hua Tian Yao‑Hui Wang Jian‑Feng Li School of Ocean Information Engineering Fujian Provincial Key Laboratory of Oceanic Information Perception and Intelligent ProcessingJimei UniversityXiamen 361021People’s Republic of China State Key Laboratory of Physical Chemistry of Solid Surfaces MOE Key Laboratory of Spectrochemical Analysis and InstrumentationiChEMCollege of Chemistry and Chemical EngineeringCollege of MaterialsCollege of EnergyXiamen UniversityXiamen 361005People’s Republic of China Key Laboratory of Green Chemical Media and reactions Ministry of EducationCollaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsCollege of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007People’s Republic of China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005People’s Republic of China

Interfacial water molecules are the most important participants in the hydrogen evolution reaction(HER).Hence,understanding the behavior and role that interfacial water plays will ultimately reveal the HER mechanism.Unfortunately,investigating interfacial water is extremely challenging owing to the interference caused by bulk water molecules and complexity of the interfacial environment.Here,the behaviors of interfacial water in different cationic electrolytes on Pd surfaces were investigated by the electrochemistry,in situ core-shell nanostructure enhanced Raman spectroscopy and theoretical simulation techniques.Direct spectral evidence reveals a red shift in the frequency and a decrease in the intensity of interfacial water as the potential is shifted in the positively direction.When comparing the different cation electrolyte systems at a given potential,the frequency of the interfacial water peak increases in the specified order:Li+

关键词： In situ Raman Interfacial water hydrogen evolution reaction Cations

面向碱性析氢反应的原子级优化Fe-Pt金属间化合物催化剂表面终结态探索

在线全文

学校读者我要写书评

暂无评论

Science Bulletin 2024年第8期69卷 1091-1099页

作者：梁庆孟繁玲李文文邹旭宋可心葛昕姜周刘玉华刘美琦李振宇董韬文陈中军张伟郑伟涛 Key Laboratory of Automobile Materials(Ministry of Education) School of Materials Science and EngineeringElectron Microscopy CenterInternational Center of Future ScienceJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsJilin UniversityChangchun 130012China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China

Controlling the atomic arrangement of elemental atoms in intermetallic catalysts to govern their surface and subsurface properties is a crucial but challenging endeavor in electrocatalytic reactions.In hydrogen evolution reaction(HER),adjusting the d-band center of the conventional noble-metallic Pt by introducing Fe enables the optimization of catalytic performance.However,a notable gap exists in research on the effective transition from disordered Fe/Pt alloys to highly ordered intermetallic compounds(IMCs)such as FePt_(3)in the alkaline HER,hampering their broader application.In this study,a series of catalysts FePt_(3-x)H(x=5,6,7,8 and 9)supported on carbon nanotubes(CNTs)were synthesized via a simple impregnation method,along with a range of heat treatment processes,including annealing in a reductive atmosphere,to regulate the order degree of the arrangement of Fe/Pt atoms within the FePt_(3)catalyst.By using advanced microscopy and spectroscopy techniques,we systematically explored the impact of the order degree of FePt_(3)in the HER.The as-prepared FePt_(3)-8H exhibited notable HER catalytic activity with low overpotentials(η=37 mV in 1.0 mol L^(-1)KOH)at j=10 mA cm^(-2).The surface of the L1_(2)FePt_(3)-8H catalyst was demonstrated to be Pt-rich.The Pt on the surface was not easily oxidized due to the unique Fe/Pt coordination,resulting in significant enhancement of HER performance.

关键词： Intermetallic hydrogen evolution reaction Surface Catalyst

Precisely Control Relationship between Sulfur Vacancy and H Absorption for Boosting hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Nano-Micro Letters 2024年第4期16卷 14-24页

作者： Jing Jin Xinyao Wang Yang Hu Zhuang Zhang Hongbo Liu Jie Yin Pinxian Xi College of Chemistry and Chemical Engineering Frontiers Science Center for Rare IsotopesState Key Laboratory of Applied Organic ChemistryLanzhou UniversityLanzhou 730000People’s Republic of China

Ef fective and robust catalyst is the core of water splitting to produce hydrogen.Here, we report an anionic etching method to tailor the sulfur vacancy(VS) of NiS_(2) to further enhance the electrocatalytic performance for hydrogen evolution reaction(HER). With the VS concentration change from 2.4% to 8.5%, the H* adsorption strength on S sites changed and NiS_(2)-VS 5.9% shows the most optimized H* adsorption for HER with an ultralow onset potential(68 m V) and has long-term stability for 100 h in 1 M KOH media. In situ attenuated-total-reflection Fourier transform infrared spectroscopy(ATR-FTIRS) measurements are usually used to monitor the adsorption of intermediates. The S-H* peak of the Ni S_(2)-VS 5.9% appears at a very low voltage, which is favorable for the HER in alkaline media. Density functional theory calculations also demonstrate the Ni S_(2)-VS 5.9% has the optimal |ΔG^(H*)| of 0.17 e V. This work offers a simple and promising pathway to enhance catalytic activity via precise vacancies strategy.

关键词： hydrogen evolution reaction S vacancies Nanosheet H Adsorption

Bifunctional interstitial phosphorous doping strategy boosts platinum-zinc alloy for efficient ammonia oxidation reaction and hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Nano Research 2024年第3期17卷 1182-1189页

作者： Tianqi Yu Kexin Tan Jia Wu Yongjin Zou Shibin Yin Guangxi Key Laboratory of Electrochemical Energy Materials School of Chemistry and Chemical EngineeringGuangxi UniversityNanning 530004China Guangxi Key Laboratory of Information Materials Guilin University of Electronic TechnologyGuilin 541004China

It is still a lack of bifunctional catalysts for ammonia oxidation reaction(AOR)and hydrogen evolution reaction(HER)due to their different reaction mechanisms.In this work,P is doped into PtZn alloy by calcination with NaH_(2)PO_(2) as P source to induce the lattice tensile strain of Pt and the electronic interaction between P and Zn,which optimizes the AOR and HER activity simultaneously.The sample with the optimal P content can drive the AOR peak current density of 293.6 mA·mgPt^(-1),which is almost 2.7 times of Pt.For HER,the overpotential at^(-1)0 mA·cm^(-2) is only 23 mV with Tafel slope of 34.1 mV·dec^(-1).Furthermore,only 0.59 V is needed to obtain 50 mA·mgPt^(-1) for ammonia electrolysis under a two-electrode system.Therefore,this work shows an ingenious method to design bifunctional catalysts for ammonia electrolysis.

关键词： PtZn alloy phosphorous doping ammonia oxidation reaction hydrogen evolution reaction bifunctional catalyst

Bilayer borophene:an efficient catalyst for hydrogen evolution reaction

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Frontiers of Chemical Science and Engineering 2024年第3期18卷 13-23页

作者： Na Xing Nan Gao Panbin Ye Xiaowei Yang Haifeng Wang Jijun Zhao College of Sciences/Xinjiang Production&Construction Corps Key Laboratory of Advanced Energy Storage Materials and Technologies Shihezi UniversityShihezi832000China Key Laboratory of Materials Modification by Laser Ion and Electron Beams(Ministry of Education)Dalian University of TechnologyDalian116024China School of Materials Science and Engineering Taizhou UniversityTaizhou318000China

The electrocatalytic hydrogen evolution reaction is a crucial technique for green hydrogen production.However,finding affordable,stable,and efficient catalyst materials to replace noble metal catalysts remains a significant challenge.Recent experimental breakthroughs in the synthesis of two-dimensional bilayer borophene provide a theoretical framework for exploring their physical and chemical properties.In this study,we systematically considered nine types of bilayer borophenes as potential electrocatalysts for the hydrogen evolution reaction.Our first-principles calculations revealed that bilayer borophenes exhibit high stability and excellent conductivity,possessing a relatively large specific surface area with abundant active sites.Both surface boron atoms and the bridge sites between two boron atoms can serve as active sites,displaying high activity for the hydrogen evolution reaction.Notably,the Gibbs free energy change associated with adsorption for these bilayer borophenes can reach as low as−0.002 eV,and the Tafel reaction energy barriers are lower(0.70 eV)than those on Pt.Moreover,the hydrogen evolution reaction activity of these two-dimensional bilayer borophenes can be described by engineering their work function.Additionally,we considered the effect of pH on hydrogen evolution reaction activity,with significant activity observed in an acidic environment.These theoretical results reveal the excellent catalytic performance of two-dimensional bilayer borophenes and provide crucial guidance for the experimental exploration of multilayer boron for various energy applications.

关键词： bilayer borophene hydrogen evolution reaction work function pH effect

Small-sized Ni-Co/Mo_(2)C/Co_(6)Mo_(6)C_(2)@C for efficient alkaline and acidic hydrogen evolution reaction by an anchoring calcination strategy

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Frontiers of Chemical Science and Engineering 2024年第5期18卷 95-103页

作者： Jianxia Gu Ying Zhu Haiyan Zheng Chunyi Sun Zhongmin Su Department of Chemistry Xinzhou Normal UniversityXinzhou 034000China School of Chemistry Northeast Normal UniversityChangchun 130024China

A novel,cheap and highly efficient Ni-Co/Mo_(2)C/Co_(6)Mo_(6)C_(2)@C nanocomposite has been successfully constructed through simple one-step carbonization method in a nitrogen atmosphere.Polyethyleneimine in the precursor can effectively anchor molybdenum-based Keggin-type polyoxometallate and NiCo-layered double hydroxide through electrostatic and coordination interactions,which avoids the aggregation of catalyst particles during the pyrolysis process.After optimization,the obtained Ni-Co/Mo_(2)C/Co_(6)Mo_(6)C_(2)@C possesses small size(3-8 nm),large specific surface area and hierarchical pore structure.More importantly,Ni-Co/Mo_(2)C/Co_(6)Mo_(6)C_(2)@C presents remarkable hydrogen evolution reaction activity with low overpotentials in 0.5 mol·L^(-1)H_(2)SO_(4)(102.3 mV)and 1 mol·L^(-1)KOH(95 mV)to afford the current density of 10 mA·cm^(-2),as well as small Tafel slopes of 82.49 and 99.92 mV·dec^(-1),respectively.Simultaneously,this catalyst also shows outstanding stability for 12 h without a significant change in current density.The excellent catalytic performance of Ni-Co/Mo_(2)C/Co_(6)Mo_(6)C_(2)@C can put down to the synergistic effect between multiple components and the small size of the catalyst.This work provides unique insights into the preparation of efficient transition metal-based catalysts for HER.

关键词： polyoxometallates layered double hydroxide transition metal-based electrocatalysts hydrogen evolution reaction

Interfacial engineering of atomic platinum-doped molybdenum carbide quantum dots for high-rate and stable hydrogen evolution reaction in proton exchange membrane water electrolysis

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Nano Research 2023年第10期16卷 12186-12195页

作者： Lulu Chen Yichao Huang Yanping Ding Ping Yu Fang Huang Wenbo Zhou Limin Wang Yangyang Jiang Haitao Li Hanqing Cai Lin Wang Hang Wang Meihong Liao Lianming Zhao Zhuangjun Fan State Key Laboratory of Heavy Oil Processing School of Materials Science and EngineeringChina University of Petroleum(East China)Qingdao 266580China Shandong Saikesaisi hydrogen Energy Co. LtdJinan 250013China School of Mechanical and Electronic Engineering Qingdao Binhai UniversityQingdao 266555China

Platinum(Pt)-based electrocatalysts remain the only practical cathode catalysts for proton exchange membrane water electrolysis(PEMWE),due to their excellent catalytic activity for acidic hydrogen evolution reaction(HER),but are greatly limited by their low reserves and high cost.Here,we report an interfacial engineering strategy to obtain a promising low-Pt loading catalyst with atomically Pt-doped molybdenum carbide quantum dots decorated on conductive porous carbon(Pt-MoCx@C)for high-rate and stable HER in PEMWE.Benefiting from the strong interfacial interaction between Pt atoms and the ultra-small MoCx quantum dots substrate,the Pt-MoCx catalyst exhibits a high mass activity of 8.00 A·mgPt−1,5.6 times higher than that of commercial 20 wt.%Pt/C catalyst.Moreover,the strong interfacial coupling of Pt and MoCx substrate greatly improves the HER stability of the Pt-MoCx catalyst.Density functional theory studies further confirm the strong metal-support interaction on Pt-MoCx,the critical role of MoCx substrate in the stabilization of surface Pt atoms,as well as activation of MoCx substrate by Pt atoms for improving HER durability and activity.The optimized Pt-MoCx@C catalyst demonstrates>2000 h stability under a water-splitting current of 1000 mA·cm^(−2)when applied to the cathode of a PEM water electrolyzer,suggesting the potential for practical applications.

关键词： proton exchange membrane(PEM)water electrolysis hydrogen evolution reaction electrocatalysts molybdenum carbides platinum