检索结果-南通市图书馆

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 ***, 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

hydrogen evolution reaction between small-sized Zr_(n)(n=2–5)clusters and water based on density functional theory

在线全文

学校读者我要写书评

暂无评论

Chinese Physics B 2023年第6期32卷 429-434页

作者：唐雷雷史顺平宋永胡家宝刁凯蒋静段湛江陈德良 College of Mathematics and Physics Chengdu University of TechnologyChengdu 610059China School of Physics and Electronics Guizhou Education UniversityGuiyang 550018China

Density functional theory(DFT)is used to calculate the most stable structures of Zr_(n)(n=2-5)clusters as well as the adsorption energy values of Zr_(n)(n=2-5)clusters after adsorbing single water *** results reveal that there is a significant linear relationship between the adsorption energy values and the energy gaps of the Zr_(n)(n=2-5)***,the calculations of the reaction paths between Zr_(n)(n=2-5)and single water molecule show that water molecule can react with Zr_(n)(n=2-5)clusters to dissociate,producing hydrogen,and O atoms mix with the clusters to generate Zr_(n)O(n=2-5),all of which are exothermic *** to the released energy,the Zr4 cluster is the most efficient in Zr_(n)(n=2-5)clusters reacting with single water *** natural population analysis(NPA)and density of states(DOS)demonstrate the production of hydrogen and orbital properties in different energy ranges,respectively,jointly forecasting that Zr_(n)O(n=2-5)will probably continue to react with more water *** findings contribute to better understanding of Zr's chemical reactivity,which can conduce to the development of effective Zr-based catalysts and hydrogen-production methods.

关键词： density functional theory hydrogen evolution reaction NBO analysis reaction pathways

Binary molten salt in situ synthesis of sandwich-structure hybrids of hollowβ-Mo2C nanotubes and N-doped carbon nanosheets for hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Carbon Energy 2023年第12期5卷 111-124页

作者： Tianyu Gong Yang Liu Kai Cui Jiali Xu Linrui Hou Haowen Xu Ruochen Liu Jianlin Deng Changzhou Yuan School of Materials Science&Engineering University of JinanJinanPeople's Republic of China School of Chemical Engineering Shandong Institute of Petroleum and Chemical TechnologyDongyingPeople's Republic of China

Focused exploration of earth-abundant and cost-efficient non-noble metal electrocatalysts with superior hydrogen evolution reaction(HER)performance is very important for large-scale and efficient electrolysis of ***,a sandwich composite structure(designed as MS-Mo2C@NCNS)ofβ-Mo2C hollow nanotubes(HNT)and N-doped carbon nanosheets(NCNS)is designed and prepared using a binary NaCl–KCl molten salt(MS)strategy for *** temperature-dominant Kirkendall formation mechanism is tentatively proposed for such a three-dimensional hierarchical *** to its attractive structure and componential synergism,MS-Mo2C@NCNS exposes more effective active sites,confers robust structural stability,and shows significant electrocatalytic activity/stability in HER,with a current density of 10 mA cm-2 and an overpotential of only 98 mV in 1 M *** functional theory calculations point to the synergistic effect of Mo2C HNT and NCNS,leading to enhanced electronic transport and suitable adsorption free energies of H*(ΔGH*)on the surface of electroactive *** significantly,the MS-assisted synthetic methodology here provides an enormous perspective for the commercial development of highly active non-noble metal electrocatalysts toward efficient hydrogen evolution.

关键词： binary molten-salt synthesis hydrogen evolution reaction Mo2C hollow nanotubes N-doped carbon nanosheets sandwich structure

High coercivity cobalt carbide nanoparticles as electrocatalysts 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

Nano Research 2022年第5期15卷 3901-3906页

作者： Yaqin Qie Yixuan Liu Fanqi Kong Zhilin Yang Hua Yang College of Chemistry Jilin UniversityChangchun 130012China

Cobalt carbide nanoparticles(NPs),as a typical carbide material,have attracted extensive attention in the fields of magnetism and ***,we adopted a modified solution route by pyrolysis long-chain amines at high temperatures to obtain Co_(2)C NPs,in which different forms of Co NPs were used as *** results reveal that no matter what the structure of the precursor and the type of long-chain amine,single-phase Co_(2)C NPs with good crystallinity are *** the same time,carbonization of hexagonal close packed(hcp)cobalt as the precursor gives the materials high magnetic anisotropy,exhibiting a large coercivity(~1,300 Oe)on the *** terms of catalytic properties,benefiting from intrinsically high activity of Co_(2)C NPs,the material demonstrates superior hydrogen evolution reaction(HER)performance,with optimal overpotential as low as 73 mV at the current density of 10 mA·cm^(-2).This provides new ideas for the further development of transition metal carbides(TMCs)and the improvement of their magnetic and electrocatalytic properties.

关键词： cobalt carbide nanoparticles solution route hard magnetic properties hydrogen evolution reaction

Magnetic field induced synthesis of(Ni, Zn)Fe2O4 spinel nanorod for enhanced alkaline 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

Progress in Natural Science:Materials International 2023年第2期33卷 172-177页

作者： Mingkun Xia Yan zhang Jiangyue Xiao Peng Zhao Zhongjun Hou Fanglin Du Dawei Chen Shuo Dou College of Material Science and Engineering Qingdao University of Science and Technology Key Laboratory of Bio-Based Material Science and Technology of Ministry of Education Northeast Forestry University

Recently, the introduction of external fields(light, thermal, magnetism, etc.) during electrocatalysis reactions gradually becomes a new strategy to modulate the catalytic activities. In this work, an external magnetic field was innovatively employed for the synthesis progress of(Ni, Zn)Fe2O4spinel oxide(M-(Ni, Zn)Fe2O4). Results indicated the magnetic field(≤250 m T) would affect the morphology of catalyst due to the existing Fe ions, inducing the M-(Ni, Zn)Fe2O4nanosphere particles to be uniform and coral-like nanorods. In addition, the electronic structure of the catalyst was regulated by the valence state of Fe, changing the bonding of metal to oxygen atoms in different spinel sites. The results manifested that the M-(Ni, Zn)Fe2O4requires a lower overpotential of only 67m V to deliver 10 m A cm-2for hydrogen evolution reaction(HER) in alkaline electrolyte. Moreover, M-(Ni, Zn)Fe2O4respectively as the anode and cathode electrode for the overall water splitting, the catalysis system requires a cell voltage of only 1.76 V to gain a current density of 50 m A cm-2, combining with an excellent discharging stability after 10 h. This work provides a facile synthesis strategy toward the design of efficient non-noble metal catalysts for alkaline HER and overall water splitting.

关键词： hydrogen evolution reaction Magnetic field Water splitting Spinel oxide Electron modulation

Bilayer borophene:an efficient catalyst for hydrogen evolution reaction

在线全文

同方期刊数据库

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 ***,finding affordable,stable,and efficient catalyst materials to replace noble metal catalysts remains a significant *** experimental breakthroughs in the synthesis of two-dimensional bilayer borophene provide a theoretical framework for exploring their physical and chemical *** this study,we systematically considered nine types of bilayer borophenes as potential electrocatalysts for the hydrogen evolution *** first-principles calculations revealed that bilayer borophenes exhibit high stability and excellent conductivity,possessing a relatively large specific surface area with abundant active *** surface boron atoms and the bridge sites between two boron atoms can serve as active sites,displaying high activity for the hydrogen evolution ***,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 ***,the hydrogen evolution reaction activity of these two-dimensional bilayer borophenes can be described by engineering their work ***,we considered the effect of pH on hydrogen evolution reaction activity,with significant activity observed in an acidic *** 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

Recent advances in nanostructured electrocatalysts 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

Rare Metals 2021年第12期40卷 3375-3405页

作者： Fei Zhou Yang Zhou Gui-Gao Liu Chen-Tuo Wang Jun Wang Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming Shanghai Jiao Tong UniversityShanghai 200240China Thermal Processing Technology Center Illinois Institute of TechnologyChicago 60616USA School of Chemical Engineering National Special Superfine Powder Engineering Research CenterNanjing University of Science and TechnologyNanjing 210094China Department of Chemistry City University of Hong KongHong Kong 999077China

hydrogen is considered to be an ideal safe and clean energy source,which can be produced by water *** high overpotential of hydrogen evolution reaction(HER)is one of the bottleneck issues for the practical application of water splitting,where high-efficiency electrocatalysts are thus usually required to accommodate and facilitate the *** recent years,a rapid rise in the HER electrocatalysts has been witnessed,especially nanostructured *** metals are generally regarded as the most effective electrocatalysts for HER,while some other electrocatalysts based on non-noble transition metals,including alloys,chalcogenides,phosphides,carbides and nitrides,can even approach the HER efficiency of noble metal *** paper mainly introduces the basic principles of the HER process,evaluates different categories of nanostructured electrocatalytic materials,providing guidance for the design and fabrication of nanostructured HER ***,recent progress and future research directions regarding the performance of metallic nanostructured materials are also discussed.

关键词： Water splitting hydrogen evolution reaction Electrocatalysts Nanostructure Metal

An ensemble learning classifier to discover arsenene catalysts with implanted heteroatoms for hydrogen evolution reaction

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2023年第3期78卷 268-276,I0008页

作者： An Chen Junfei Cai Zhilong Wang Yanqiang Han Simin Ye Jinjin Li Key Laboratory for Thin Film and Microfabrication of Ministry of Education Department of Micro/Nano-electronicsShanghai Jiao Tong UniversityShanghai 200240China

Accurate regulation of two-dimensional materials has become an effective strategy to develop a wide range of catalytic *** introduction of heterogeneous components has a significant impact on the performance of materials,which makes it difficult to discover and understand the structure-property relationships at the atomic ***,we developed a novel and efficient ensemble learning classifier with synthetic minority oversampling technique(SMOTE) to discover all possible arsenene catalysts with implanted heteroatoms for hydrogen evolution reaction(HER).A total of 850 doped arsenenes were collected as a database and 140 modified arsenene materials with different doping atoms and doping sites were identified as promising candidate catalysts for HER,with a machine learning prediction accuracy of 81%.Based on the results of machine learning,we proposed 13 low-cost and easily synthesized two-dimensional Fe-doped arsenene catalytic materials that are expected to contribute to high-efficient *** proposed ensemble method achieved high prediction accuracy,but millions of times faster to predict Gibbs free energies and only required a small amount of *** study indicates that the presented ensemble learning classifier is capable of screening high-efficient catalysts,and can be further extended to predict other two-dimensional catalysts with delicate regulation.

关键词： Ensemble learning Implanted heteroatoms hydrogen evolution reaction Synthetic minority oversampling technique

Improving hydrogen evolution reaction efficiency through lattice tuning

在线全文

学校读者我要写书评

暂无评论

Nano Research 2024年第7期17卷 5907-5913页

作者： Zipeng Zhao Haotian Liu Wenpei Gao Praveen Kolla Wang Xue Zeyan Liu Jinghua Guo Sanjeev Mukerjee Xiaoqing Pan Qingying Jia Xiangfeng Duan Yu Huang Department of Materials Science and Engineering University of CaliforniaLos AngelesCalifornia 90095USA Department of Chemical Engineering and Materials Science University of CaliforniaIrvineCalifornia 92697USA Materials Science and Engineering North Carolina State UniversityRaleighNorth Carolina 27695USA Department of Chemistry and Chemical Biology Northeastern UniversityBostonMassachusetts 02115USA Department of Chemistry and Biochemistry University of CaliforniaLos AngelesCalifornia 90095USA Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCalifornia 94720USA Department of Chemistry and Biochemistry University of CaliforniaSanta CruzCalifornia 95064USA Department of Physics and Astronomy University of CaliforniaIrvineCalifornia 92697USA California Nanosystems Institute University of CaliforniaLos AngelesCalifornia 90095USA

The intermittent nature of renewable energy sources sets a requirement for efficient energy storage to mitigate the conflict between energy supply and *** is a promising choice for energy storage due to its high energy ***,the conversion of electrical energy to chemical energy stored in hydrogen through water electrolysis suffers from low efficiency,and the electricity cost dominates the total cost of hydrogen ***,we report the study of improving the hydrogen evolution reaction activity of Pt-based catalysts by building a nanoscale surface NiO and Pt interface,further optimizing the performance via tuning the lattice parameter of the core of nanoparticles,which can be achieved by varying the dealloying annealing *** optimized PtCuNi-O/C and PtNi-O/C catalysts are demonstrated to be one of the best catalysts,with a mass activity(MA)of 9.1 and 8.7 mA/μgPt,which is 9.9-fold and 9.5-fold of that of Pt/C,respectively.

关键词： lattice tuning Pt-based catalyst hydrogen evolution reaction electrocatalysis