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Deformable Catalytic Material Derived from Mechanical Flexibility for Hydrogen Evolution Reaction 被引量:2
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作者 Fengshun Wang Lingbin Xie +7 位作者 Ning Sun Ting Zhi Mengyang Zhang Yang Liu Zhongzhong Luo Lanhua Yi Qiang Zhao Longlu Wang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第2期287-311,共25页
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 year... 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. 展开更多
关键词 Deformable catalytic material Micro-nanostructures evolution Mechanical flexibility hydrogen evolution reaction
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Precisely Control Relationship between Sulfur Vacancy and H Absorption for Boosting Hydrogen Evolution Reaction
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作者 Jing Jin Xinyao Wang +4 位作者 Yang Hu Zhuang Zhang Hongbo Liu Jie Yin Pinxian Xi 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期14-24,共11页
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 performan... 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. 展开更多
关键词 hydrogen evolution reaction S vacancies NANOSHEET H Adsorption
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In situ infrared, Raman and X-ray spectroscopy for the mechanistic understanding of hydrogen evolution reaction
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作者 Andi Haryanto Kyounghoon Jung +1 位作者 Chan Woo Lee Dong-Wan Kim 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期632-651,I0014,共21页
Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely use... Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely used to study the reaction mechanism of the hydrogen evolution reaction(HER),but the calculation results need to be supported by experimental results and direct evidence to confirm the mechanistic insights.In this review,we discuss the fundamental principles of the in situ spectroscopic strategy and a theoretical model for a mechanistic understanding of the HER.In addition,we investigate recent studies by in situ Fourier transform infrared(FTIR),Raman spectroscopy,and X-ray absorption spectroscopy(XAS) and cover new findings that occur at the catalyst-electrolyte interface during HER.These spectroscopic strategies provide practical ways to elucidate catalyst phase,reaction intermediate,catalyst-electrolyte interface,intermediate binding energy,metal valency state,and coordination environment during HER. 展开更多
关键词 hydrogen evolution reaction Infrared spectroscopy Raman spectroscopy X-ray absorption spectroscopy reaction mechanism
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Exploring the Cation Regulation Mechanism for Interfacial Water Involved in the Hydrogen Evolution Reaction by In Situ Raman Spectroscopy
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作者 Xueqiu You Dongao Zhang +4 位作者 Xia‑Guang Zhang Xiangyu Li Jing‑Hua Tian Yao‑Hui Wang Jian‑Feng Li 《Nano-Micro Letters》 SCIE EI CSCD 2024年第3期303-312,共10页
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.U... 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+<Na^(+)<K^(+)<Ca^(2+)<Sr^(2+).The structure of interfacial water was optimized by adjusting the radius,valence,and concentration of cation to form the two-H down structure.This unique interfacial water structure will improve the charge transfer efficiency between the water and electrode further enhancing the HER performance.Therefore,local cation tuning strategies can be used to improve the HER performance by optimizing the interfacial water structure. 展开更多
关键词 In situ Raman Interfacial water hydrogen evolution reaction CATIONS
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Atomic-level coupled RuO_(2)/BaRuO_(3) heterostructure for efficient alkaline hydrogen evolution reaction
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作者 Yueying Yan Tian Meng +4 位作者 Yuting Chen Yang Yang Dewen Wang Zhicai Xing Xiurong Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期356-362,I0009,共8页
The slow water dissociation is the rate-determining step that slows down the reaction rate in alkaline hydrogen evolution reaction(HER).Optimizing the surface electronic structure of the catalyst to lower the energy b... The slow water dissociation is the rate-determining step that slows down the reaction rate in alkaline hydrogen evolution reaction(HER).Optimizing the surface electronic structure of the catalyst to lower the energy barrier of water dissociation and regulating the binding strength of adsorption intermediates are crucial strategy for boosting the catalytic performance of HER.In this study,RuO_(2)/BaRuO_(3)(RBRO)heterostructures with abundant oxygen vacancies and lattice distortion were in-situ constructed under a low temperature via the thermal decomposition of gel-precursor.The RBRO heterostructures obtained at 550℃ exhibited the highest HER activity in 1 M KOH,showing an ultra-low overpotential of 16 mV at 10 mA cm^(-2)and a Tafel slope of 33.37 m V dec^(-1).Additionally,the material demonstrated remarkable durability,with only 25 mV of degradation in overpotential after 200 h of stability testing at 10 mA cm^(-2).Density functional theory calculations revealed that the redistribution of charges at the heterojunction interface can optimize the binding energies of H*and OH*and effectively lower the energy barrier of water dissociation.This research offers novel perspectives on surpassing the water dissociation threshold of alkaline HER catalysts by means of a systematic design of heterogeneous interfaces. 展开更多
关键词 HETEROSTRUCTURE hydrogen evolution reaction Interfacial electron transfer Oxygen vacancies
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Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface:A First‑Principles Study
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作者 Xiaoyu Liu Yiming Guo +6 位作者 Fanghua Ning Yuyu Liu Siqi Shi Qian Li Jiujun Zhang Shigang Lu Jin Yi 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第6期180-191,共12页
Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still unclear.Herein,the reaction mechan... Hydrogen evolution reaction(HER)has become a key factor affecting the cycling stability of aqueous Zn-ion batteries,while the corresponding fundamental issues involving HER are still unclear.Herein,the reaction mechanisms of HER on various crystalline surfaces have been investigated by first-principle calculations based on density functional theory.It is found that the Volmer step is the ratelimiting step of HER on the Zn(002)and(100)surfaces,while,the reaction rates of HER on the Zn(101),(102)and(103)surfaces are determined by the Tafel step.Moreover,the correlation between HER activity and the generalized coordination number(CN)of Zn at the surfaces has been revealed.The relatively weaker HER activity on Zn(002)surface can be attributed to the higher CN of surface Zn atom.The atomically uneven Zn(002)surface shows significantly higher HER activity than the flat Zn(002)surface as the CN of the surface Zn atom is lowered.The CN of surface Zn atom is proposed as a key descriptor of HER activity.Tuning the CN of surface Zn atom would be a vital strategy to inhibit HER on the Zn anode surface based on the presented theoretical studies.Furthermore,this work provides a theoretical basis for the in-depth understanding of HER on the Zn surface. 展开更多
关键词 Aqueous Zn-ion battery Zn anode hydrogen evolution reaction Coordination number First-principles calculation
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Recent advances in design of hydrogen evolution reaction electrocatalysts at high current density:A review
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作者 Zhipeng Li Xiaobin Liu +5 位作者 Qingping Yu Xinyue Qu Jun Wan Zhenyu Xiao Jingqi Chi Lei Wang 《Chinese Journal of Catalysis》 SCIE CAS CSCD 2024年第8期33-60,共28页
The electrolysis of water powered by renewable energy sources offers a promising method of"green hydrogen"production,which is considered to be at the heart of future carbon-neutral energy systems.In the past... The electrolysis of water powered by renewable energy sources offers a promising method of"green hydrogen"production,which is considered to be at the heart of future carbon-neutral energy systems.In the past decades,researchers have reported a number of hydrogen evolution reaction(HER)electrocatalysts with activity comparable to that of commercial Pt/C,but most of them are tested within a small current density range,typically no more than 500 mA cm^(-2).To realize the industrial application of hydrogen production from water electrolysis,it is essential to develop high-efficiency HER electrocatalysts at high current density(HCD≥500 mA cm^(-2)).Nevertheless,it remains challenging and significant to rational design HCD electrocatalysts for HER.In this paper,the design strategy of HCD electrocatalysts is discussed,and some HCD electrocatalysts for HER are reviewed in seven categories(alloy,metal oxide,metal hydroxide,metal sulfide/selenide,metal nitride,metal phosphide and other derived electrocatalysts).At the end of this article,we also pro-pose some viewpoints and prospects for the future development and research directions of HCD electrocatalysts for HER. 展开更多
关键词 ELECTROCATALYST High current density hydrogen evolution reaction Water electrolysis
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Unraveling the Harmonious Coexistence of Ruthenium States on a Self-Standing Electrode for Enhanced Hydrogen Evolution Reaction
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作者 Joonhee Ma Jin Hyuk Cho +6 位作者 Chaehyeon Lee Moon Sung Kang Sungkyun Choi Ho Won Jang Sang Hyun Ahn Seoin Back Soo Young Kim 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第6期303-311,共9页
The development of cost-effective,highly efficient,and durable electrocatalysts has been a paramount pursuit for advancing the hydrogen evolution reaction(HER).Herein,a simplified synthesis protocol was designed to ac... The development of cost-effective,highly efficient,and durable electrocatalysts has been a paramount pursuit for advancing the hydrogen evolution reaction(HER).Herein,a simplified synthesis protocol was designed to achieve a self-standing electrode,composed of activated carbon paper embedded with Ru single-atom catalysts and Ru nanoclusters(ACP/Ru_(SAC+C))via acid activation,immersion,and high-temperature pyrolysis.Ab initio molecular dynamics(AIMD)calculations are employed to gain a more profound understanding of the impact of acid activation on carbon paper.Furthermore,the coexistence states of the Ru atoms are confirmed via aberration-corrected scanning transmission electron microscopy(AC-STEM),X-ray photoelectron spectroscopy(XPS),and X-ray absorption spectroscopy(XAS).Experimental measurements and theoretical calculations reveal that introducing a Ru single-atom site adjacent to the Ru nanoclusters induces a synergistic effect,tuning the electronic structure and thereby significantly enhancing their catalytic performance.Notably,the ACP/Ru_(SAC+C)exhibits a remarkable turnover frequency(TOF)of 18 s^(−1)and an exceptional mass activity(MA)of 2.2 A mg^(−1),surpassing the performance of conventional Pt electrodes.The self-standing electrode,featuring harmoniously coexisting Ru states,stands out as a prospective choice for advancing HER catalysts,enhancing energy efficiency,productivity,and selectivity. 展开更多
关键词 ELECTROCATALYSIS electronic coupling effect hydrogen evolution reaction selfstanding electrode
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Insights into the hydrogen evolution reaction in vanadium redox flow batteries:A synchrotron radiation based X-ray imaging study
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作者 Kerstin Köble Alexey Ershov +7 位作者 Kangjun Duan Monja Schilling Alexander Rampf Angelica Cecilia TomášFaragó Marcus Zuber Tilo Baumbach Roswitha Zeis 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期132-144,共13页
The parasitic hydrogen evolution reaction(HER)in the negative half-cell of vanadium redox flow batteries(VRFBs)causes severe efficiency losses.Thus,a deeper understanding of this process and the accompanying bubble fo... The parasitic hydrogen evolution reaction(HER)in the negative half-cell of vanadium redox flow batteries(VRFBs)causes severe efficiency losses.Thus,a deeper understanding of this process and the accompanying bubble formation is crucial.This benchmarking study locally analyzes the bubble distribution in thick,porous electrodes for the first time using deep learning-based image segmentation of synchrotron X-ray micro-tomograms.Each large three-dimensional data set was processed precisely in less than one minute while minimizing human errors and pointing out areas of increased HER activity in VRFBs.The study systematically varies the electrode potential and material,concluding that more negative electrode potentials of-200 m V vs.reversible hydrogen electrode(RHE)and lower cause more substantial bubble formation,resulting in bubble fractions of around 15%–20%in carbon felt electrodes.Contrarily,the bubble fractions stay only around 2%in an electrode combining carbon felt and carbon paper.The detected areas with high HER activity,such as the border subregion with more than 30%bubble fraction in carbon felt electrodes,the cutting edges,and preferential spots in the electrode bulk,are potential-independent and suggest that larger electrodes with a higher bulk-to-border ratio might reduce HER-related performance losses.The described combination of electrochemical measurements,local X-ray microtomography,AI-based segmentation,and 3D morphometric analysis is a powerful and novel approach for local bubble analysis in three-dimensional porous electrodes,providing an essential toolkit for a broad community working on bubble-generating electrochemical systems. 展开更多
关键词 Vanadium redox flow battery Synchrotron X-ray imaging Tomography hydrogen evolution reaction Gas bubbles Deep learning
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Accelerating the Screening of Modified MA_(2)Z_(4)Catalysts for Hydrogen Evolution Reaction by Deep Learning-Based Local Geometric Analysis
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作者 Jingnan Zheng Shibin Wang +3 位作者 Shengwei Deng Zihao Yao Junhua Hu Jianguo Wang 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第6期290-302,共13页
Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity rela... Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity relationships.The traditional ML models are always difficult to identify the structural differences among the single-atom systems with different modification methods,leading to the limitation of the potential application range.Aiming to the structural properties of several typical two-dimensional MA_(2)Z_(4)-based single-atom systems(bare MA_(2)Z_(4)and metal single-atom doped/supported MA_(2)Z_(4)),an improved crystal graph convolutional neural network(CGCNN)classification model was employed,instead of the traditional machine learning regression model,to address the challenge of incompatibility in the studied systems.The CGCNN model was optimized using crystal graph representation in which the geometric configuration was divided into active layer,surface layer,and bulk layer(ASB-GCNN).Through ML and DFT calculations,five potential single-atom hydrogen evolution reaction(HER)catalysts were screened from chemical space of 600 MA_(2)Z_(4)-based materials,especially V_(1)/HfSn_(2)N_(4)(S)with high stability and activity(Δ_(GH*)is 0.06 eV).Further projected density of states(pDOS)analysis in combination with the wave function analysis of the SAC-H bond revealed that the SAC-dz^(2)orbital coincided with the H-s orbital around the energy level of−2.50 eV,and orbital analysis confirmed the formation ofσbonds.This study provides an efficient multistep screening design framework of metal single-atom catalyst for HER systems with similar two-dimensional supports but different geometric configurations. 展开更多
关键词 graph convolutional neural network hydrogen evolution reaction modified MA_(2)Z_(4)substrate single atom catalyst
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Achieving Negatively Charged Pt Single Atoms on Amorphous Ni(OH)_(2)Nanosheets with Promoted Hydrogen Absorption in Hydrogen Evolution
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作者 Yue Liu Gui Liu +6 位作者 Xiangyu Chen Chuang Xue Mingke Sun Yifei Liu Jianxin Kang Xiujuan Sun Lin Guo 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第10期213-224,共12页
Single-atom(SA)catalysts with nearly 100%atom utilization have been widely employed in electrolysis for decades,due to the outperforming catalytic activity and selectivity.However,most of the reported SA catalysts are... Single-atom(SA)catalysts with nearly 100%atom utilization have been widely employed in electrolysis for decades,due to the outperforming catalytic activity and selectivity.However,most of the reported SA catalysts are fixed through the strong bonding between the dispersed single metallic atoms with nonmetallic atoms of the substrates,which greatly limits the controllable regulation of electrocatalytic activity of SA catalysts.In this work,Pt-Ni bonded Pt SA catalyst with adjustable electronic states was successfully constructed through a controllable electrochemical reduction on the coordination unsaturated amorphous Ni(OH)_(2)nanosheet arrays.Based on the X-ray absorption fine structure analysis and first-principles calculations,Pt SA was bonded with Ni sites of amorphous Ni(OH)_(2),rather than conventional O sites,resulting in negatively charged Pt^(δ-).In situ Raman spectroscopy revealed that the changed configuration and electronic states greatly enhanced absorbability for activated hydrogen atoms,which were the essential intermediate for alkaline hydrogen evolution reaction.The hydrogen spillover process was revealed from amorphous Ni(OH)_(2)that effectively cleave the H-O-H bond of H_(2)O and produce H atom to the Pt SA sites,leading to a low overpotential of 48 mV in alkaline electrolyte at-1000 mA cm^(-2)mg^(-1)_(Pt),evidently better than commercial Pt/C catalysts.This work provided new strategy for the control-lable modulation of the local structure of SA catalysts and the systematic regulation of the electronic states. 展开更多
关键词 hydrogen evolution reaction AMORPHOUS Pt single atoms hydrogen spillover
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Heterostructured Pt-Ni_(3)Mo_(3)N formed via ammonia-containing polyoxometalates for highly efficient electrocatalytic hydrogen evolution in acid medium
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作者 Bianqing Ren Xue Gong +5 位作者 Jing Cao Dezheng Zhang Zizhun Wang Ping Song Ce Han Weilin Xu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期698-704,共7页
Constructing heterostructured nanohybrid is considered as a prominent route to fabricate alternative electrocatalysts to commercial Pt/C for hydrogen evolution reaction(HER).In this work,(NH_(4))_(4)[NiH_(6)Mo_(6)O_(4... Constructing heterostructured nanohybrid is considered as a prominent route to fabricate alternative electrocatalysts to commercial Pt/C for hydrogen evolution reaction(HER).In this work,(NH_(4))_(4)[NiH_(6)Mo_(6)O_(4)]·5H_(2)O polyoxometalates(NiMo_(6))are adopted as the cluster precursors for simple fabrication of heterostructured Pt-Ni_(3)Mo_(3)N nanohybrids supported by carbon black(Pt-Ni_(3)Mo_(3)N/C)without using additional N sources.The improved porosity and enhanced electronic interaction of Pt-Ni_(3)Mo_(3)N/C should be attributed to the integration of Pt with NiMo_(6),which favors the mass transport,promotes the formation of exposed catalytic sites,and benefits the regulation of intrinsic activity.Thus,the as-obtained Pt-Ni_(3)Mo_(3)N/C exhibits impressive and durable HER performance as indicated by the low overpotential of 13.7 mV at the current density of 10 mA cm^(-2) and the stable overpotential during continuous working at 100 mA cm^(-2) for 100 h.This work provides significant insights for the synthesis of new highly active heterostructured electrocatalysts for renewable energy devices. 展开更多
关键词 POLYOXOMETALATES Cluster precursors Heterostructured nanohybrids hydrogen evolution reaction ELECTROCATALYSIS
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Unsaturated bi-heterometal clusters in metal-vacancy sites of 2D MoS2 for efficient hydrogen evolution
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作者 Gonglei Shao Jie Xu +4 位作者 Shasha Gao Zhang Zhang Song Liu Xu Zhang Zhen Zhou 《Carbon Energy》 SCIE EI CAS CSCD 2024年第3期264-275,共12页
The valence states and coordination structures of doped heterometal atoms in two-dimensional(2D)nanomaterials lack predictable regulation strategies.Hence,a robust method is proposed to form unsaturated heteroatom clu... The valence states and coordination structures of doped heterometal atoms in two-dimensional(2D)nanomaterials lack predictable regulation strategies.Hence,a robust method is proposed to form unsaturated heteroatom clusters via the metal-vacancy restraint mechanism,which can precisely regulate the bonding and valence state of heterometal atoms doped in 2D molybdenum disulfide.The unsaturated valence state of heterometal Pt and Ru cluster atoms form a spatial coordination structure with Pt–S and Ru–O–S as catalytically active sites.Among them,the strong binding energy of negatively charged suspended S and O sites for H+,as well as the weak adsorption of positively charged unsaturated heterometal atoms for H*,reduces the energy barrier of the hydrogen evolution reaction proved by theoretical calculation.Whereupon,the electrocatalytic hydrogen evolution performance is markedly improved by the ensemble effect of unsaturated heterometal atoms and highlighted with an overpotential of 84 mV and Tafel slope of 68.5 mV dec^(−1).In brief,this metal vacancy-induced valence state regulation of heterometal can manipulate the coordination structure and catalytic activity of heterometal atoms doped in the 2D atomic lattice but not limited to 2D nanomaterials. 展开更多
关键词 CLUSTERS hydrogen evolution reaction metal vacancy MOS2 unsaturated heterometal
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Strong metal–support interaction boosts the electrocatalytic hydrogen evolution capability of Ru nanoparticles supported on titanium nitride
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作者 Xin Wang Xiaoli Yang +7 位作者 Guangxian Pei Jifa Yang Junzhe Liu Fengwang Zhao Fayi Jin Wei Jiang Haoxi Ben Lixue Zhang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第1期245-254,共10页
Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-gr... Ruthenium(Ru)has been regarded as one of the most promising alternatives to substitute Pt for catalyzing alkaline hydrogen evolution reaction(HER),owing to its inherent high activity and being the cheapest platinum-group metal.Herein,based on the idea of strong metal–support interaction(SMSI)regulation,Ru/TiN catalysts with different degrees of TiN overlayer over Ru nanoparticles were fabricated,which were applied to the alkaline electrolytic water.Characterizations reveal that the TiN overlayer would gradually encapsulate the Ru nanoparticles and induce more electron transfer from Ru nanoparticles to TiN support by the Ru–N–Ti bond as the SMSI degree increased.Further study shows that the exposed Ru–TiN interfaces greatly promote the H_(2) desorption capacity.Thus,the Ru/TiN-300 with a moderate SMSI degree exhibits excellent HER performance,with an overpotential of 38 mV at 10 mA cm^(−2).Also,due to the encapsulation role of TiN overlayer on Ru nanoparticles,it displays super long-term stability with a very slight potential change after 24 h.This study provides a deep insight into the influence of the SMSI effect between Ru and TiN on HER and offers a novel approach for preparing efficient and stable HER electrocatalysts through SMSI engineering. 展开更多
关键词 electronic structure hydrogen evolution reaction RUTHENIUM strong metal-support interaction titanium nitride
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Multifunctional catalytic sites regulation of atomic-scale iridium on orthorhombic-CoSe_(2)for high efficiency dual-functional alkaline hydrogen evolution and organic degradation
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作者 Jingjing Huang Chenglin Zhong +14 位作者 Yanjie Xia Jia Liu Guizhen Li Chao Yang Jiahong Wang Qian Wang Zhenbao Zhang Feng Yan Jianghua Wu Yu Deng Zhenjiang Zhou Xingchen He Paul K.Chu Woon-Ming Lau Xue-Feng Yu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期271-281,共11页
The earth-abundant and high-performance catalysts are crucial for commercial implementation of hydrogen evolution reaction(HER).Herein,a multifunctional site strategy to construct excellent HER catalysts by incorporat... The earth-abundant and high-performance catalysts are crucial for commercial implementation of hydrogen evolution reaction(HER).Herein,a multifunctional site strategy to construct excellent HER catalysts by incorporating iridium(Ir)ions on the atomic scale into orthorhombic-CoSe2(Ir-CoSe_(2))was reported.Outstanding hydrogen evolution activity in alkaline media such as a low overpotential of 48.7 mV at a current density of 10 mA cm^(-2)and better performance than commercial Pt/C catalysts at high current densities were found in the Ir-CoSe_(2) samples.In the experiments and theoretical calculations,it was revealed that Ir enabled CoSe_(2)to form multifunctional sites to synergistically catalyze alkaline HER by promoting the adsorption and dissociation of H_(2)O(Ir sites)and optimizing the binding energy for H^(*)on Co sites.It was noticeable that the electrolytic system comprising the Ir-CoSe_(2)electrode not only produced hydrogen efficiently via HER,but also degraded organic pollutants(Methylene blue).The cell voltage of the dual-function electrolytic system was 1.58 V at the benchmark current density of 50 mA cm^(-2),which was significantly lower than the conventional water splitting voltage.It was indicated that this method was a novel strategy for designing advanced HER electrocatalysts by constructing multifunctional catalytic sites for hydrogen production and organic degradation. 展开更多
关键词 Orthorhombic-CoSe_(2) Multifunctional sites design hydrogen evolution reaction Synergistically catalyze Methylene blue oxidation
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Preparation of Flower-like Copper Foam Supported Co_(3)O_(4) Electrocatalyst and Its Hydrogen Evolution Performance
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作者 李兆 CHENG Julong +2 位作者 WANG Yanan WU Kunyao CAO Jing 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第2期327-331,共5页
Flower-like copper foam Co_(3)O_(4) catalysts(Co_(3)O_(4)/CF) were prepared by hydrothermal method.The crystalline structure and microscopic morphology of the prepared samples were characterized by using X-ray diffrac... Flower-like copper foam Co_(3)O_(4) catalysts(Co_(3)O_(4)/CF) were prepared by hydrothermal method.The crystalline structure and microscopic morphology of the prepared samples were characterized by using X-ray diffractometer(XRD) and scanning electron microscope(SEM),and the electrochemical properties were investigated by an electrochemical workstation.The experimental results show that the Co_(3)O_(4) catalysts are successfully prepared on the foamed copper support by hydrothermal method,and the material’s morphology is mainly flower cluster.When the current density is 10 mA·cm^(-2),the overpotential value of the Co_(3)O_(4)/CF catalyst is 141 mV,lower than that of blank support.The electrochemical impedance(EIS) spectrum shows that the R_(ct )value of the Co_(3)O_(4)/CF catalyst decreases,and the Coulomb curves of double-layer show that the electrochemically active area of the Co_(3)O_(4)/CF catalyst efficiently increases compared with that of the blank support.Therefore,the as-obtained Co_(3)O_(4)/CF catalyst exhibits a good hydrogen evolution rate,showing great applicability potential in the catalytic electrolysis of water for hydrogen production. 展开更多
关键词 Co_(3)O_(4)/CF composite structure ELECTROCATALYSIS hydrogen evolution reaction
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Facet Engineering of Advanced Electrocatalysts Toward Hydrogen/Oxygen Evolution Reactions 被引量:10
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作者 Changshui Wang Qian Zhang +7 位作者 Bing Yan Bo You Jiaojiao Zheng Li Feng Chunmei Zhang Shaohua Jiang Wei Chen Shuijian He 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第4期97-137,共41页
The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality... The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality.Electrocatalysts can effectively reduce the reaction energy barrier and increase the reaction efficiency.Facet engineering is considered as a promising strategy in controlling the ratio of desired crystal planes on the surface.Owing to the anisotropy,crystal planes with different orientations usually feature facet-dependent physical and chemical properties,leading to differences in the adsorption energies of oxygen or hydrogen intermediates,and thus exhibit varied electrocatalytic activity toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).In this review,a brief introduction of the basic concepts,fundamental understanding of the reaction mechanisms as well as key evaluating parameters for both HER and OER are provided.The formation mechanisms of the crystal facets are comprehensively overviewed aiming to give scientific theory guides to realize dominant crystal planes.Subsequently,three strategies of selective capping agent,selective etching agent,and coordination modulation to tune crystal planes are comprehensively summarized.Then,we present an overview of significant contributions of facet-engineered catalysts toward HER,OER,and overall water splitting.In particular,we highlight that density functional theory calculations play an indispensable role in unveiling the structure–activity correlation between the crystal plane and catalytic activity.Finally,the remaining challenges in facet-engineered catalysts for HER and OER are provided and future prospects for designing advanced facet-engineered electrocatalysts are discussed. 展开更多
关键词 Crystal facet engineering ANISOTROPY Oxygen evolution reaction hydrogen evolution reaction Theoretical simulations
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Defect-engineered two-dimensional transition metal dichalcogenides towards electrocatalytic hydrogen evolution reaction 被引量:5
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作者 Hang Su Xiaodong Pan +2 位作者 Suqin Li Hao Zhang Ruqiang Zou 《Carbon Energy》 SCIE CSCD 2023年第6期21-44,共24页
Recently,two-dimensional transition metal dichalcogenides(TMDs)demonstrated their great potential as cost-effective catalysts in hydrogen evolution reaction.Herein,we systematically summarize the existing defect engin... Recently,two-dimensional transition metal dichalcogenides(TMDs)demonstrated their great potential as cost-effective catalysts in hydrogen evolution reaction.Herein,we systematically summarize the existing defect engineering strategies,including intrinsic defects(atomic vacancy and active edges)and extrinsic defects(metal doping,nonmetal doping,and hybrid doping),which have been utilized to obtain advanced TMD-based electrocatalysts.Based on theoretical simulations and experimental results,the electronic structure,intermediate adsorption/desorption energies and possible catalytic mechanisms are thoroughly discussed.Particular emphasis is given to the intrinsic relationship between various types of defects and electrocatalytic properties.Furthermore,current opportunities and challenges for mechanical investigations and applications of defective TMD-based catalysts are presented.The aim herein is to reveal the respective properties of various defective TMD catalysts and provide valuable insights for fabricating high-efficiency TMD-based electrocatalysts. 展开更多
关键词 defect engineering ELECTROCATALYSTS hydrogen evolution reaction(HER) transition metal dichalcogenides
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Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS_(4) by DFT and machine learning 被引量:3
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作者 Tianyun Liu Xin Zhao +5 位作者 Xuefei Liu Wenjun Xiao Zijiang Luo Wentao Wang Yuefei Zhang Jin-Cheng Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第6期93-100,I0004,共9页
As a zero-carbon fuel,hydrogen can be produced via electrochemical water splitting using clean electric energy by the hydrogen evolution reaction(HER)process.The ultimate goal of HER catalyst is to replace the expensi... As a zero-carbon fuel,hydrogen can be produced via electrochemical water splitting using clean electric energy by the hydrogen evolution reaction(HER)process.The ultimate goal of HER catalyst is to replace the expensive Pt metal benchmark with a cheap one with equivalent activities.In this work,we investigated the possibility of HER process on single-atom catalysts(SACs)doped on two-dimensional(2D)GaPS_(4)materials,which have a large intrinsic band gap that can be regulated by doping and tensile strain.Based on the machine learning regression analysis,we can expand the prediction of HER performance to more catalysts without expensive DFT calculation.The electron affinity and first ionization energy are the two most important descriptors related to the HER behavior.Furthermore,constrain molecular dynamics with solvation models and constant potentials were applied to understand the dynamics barrier of HER process of Pt SAC on GaPS_(4)materials.These findings not only provide important insights into the catalytic properties of single-atom catalysts on GaPS_(4)2D materials,but also provides theoretical guidance paradigm for exploration of new catalysts. 展开更多
关键词 Two-dimensional GaPS_(4) hydrogen evolution reaction Single-atom catalysis First-principles calculation Machine learning
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Construction of Ru/WO3 with hetero-interface structure for efficient hydrogen evolution reaction 被引量:2
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作者 Xin Xie Yunxiao Fan +6 位作者 Wanyu Tian Meng Zhang Jialin Cai Xingang Zhang Jie Ding Yushan Liu Siyu Lu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第8期150-157,I0006,共9页
Water electrolysis is considered as one most promising technique for hydrogen production.The high efficiency electrocatalyst is the key to accelerating the sluggish kinetics of the hydrogen evolution reaction(HER) in ... Water electrolysis is considered as one most promising technique for hydrogen production.The high efficiency electrocatalyst is the key to accelerating the sluggish kinetics of the hydrogen evolution reaction(HER) in alkaline media.In this work,an efficient HER electrocatalyst with hetero-interfacial metal-metal oxide structure was constructed through a redox solid phase reaction(SPR) strategy.During the annealing process under Ar atmosphere,RuO_(2) and WS_(2)in RuO_(2)/WS_(2)precursor were converted to Ru nanoparticles(NPs) and WO3in situ,where tiny Ru NPs and oxygen vacancies were uniformly distributed onto the newly formed WO3nanosheets.Different characterization techniques were adopted to confirm the successful formation of Ru/WO_(3)electrocatalyst(RWOC).The optimized RWOC sample annealed at 400℃ exhibited the low overpotential value of 13 mV at a current density of 10 mA cm^(-2)and strong durability under the alkaline condition.Density functional theoretical calculations further revealed that the promoted adsorption/desorption rate of reaction intermediates and the accelerated kinetics of HER process were deduced to the synergistic effect between Ru and WO_(3)in electrocatalyst.This work provides a feasible method to fabricate highly efficient HER electrocatalysts. 展开更多
关键词 RU WO_(3) Hetero-interface hydrogen evolution reaction ELECTROCATALYST
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