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Kinetically and thermodynamically expediting elementary steps via high-valence Cr-incorporated of nickel selenide for water electrolysis

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Nano Research 2024年第3期17卷 1199-1208页

作者： Huafeng fan Dongxu Jiao jinchang fan Dewen Wang Bilal Zaman Wei Zhang Lei Zhang Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials of MOEJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsElectron Microscopy CenterJilin UniversityChangchun 130012China College of Chemistry Jilin UniversityChangchun 130012China

Designing high-performance electrocatalysts toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)is essential to reduce the activation barrier and optimize free adsorption energy of reactive ***,we report that incorporating high-valence Cr into NiSe_(2)(Cr_(x)Ni_(1-x)Se_(2))kinetically and thermodynamically expedites elementary steps of both HER and *** as-prepared Cr_(0.05)Ni_(0.95)Se_(2) catalyst displays excellent HER and OER activities,with low overpotentials of 89 and 272 mV at the current density of 10 mA·cm^(-2)(j10),respectively,and remains stable during operation for 30 h.A low cell voltage of only 1.59 V is required to drive j10 in alkaline *** situ Raman spectroscopy reveals that Cr incorporation facilitates the formation of NiOOH active species during the OER ***,theoretical explorations demonstrate that high-valence Cr incorporation efficiently accelerates water dissociation kinetics and improves H*adsorption during HER process,lowering the activation barrier of OER and optimizing the adsorption energy of oxygen-based intermediate,thus kinetically and thermodynamically enhancing the intrinsic performance of NiSe_(2) for over water *** strategy provides a new horizon to design transition metal based electrocatalysts in the clean energy field.

关键词： nickel selenide electrocatalytic water splitting high-valence Cr density functional theory(DFT)calculation

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Atomic Dispersed Hetero‑Pairs for Enhanced Electrocatalytic CO_(2)Reduction

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Nano-Micro Letters 2024年第1期16卷 55-67页

作者： Zhaoyong Jin Meiqi Yang Yilong Dong Xingcheng Ma Ying Wang Jiandong Wu jinchang fan Dewen Wang Rongshen Xi Xiao Zhao Tianyi Xu Jingxiang Zhao Lei Zhang David J.Singh Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials of MOEElectron Microscopy CenterJilin UniversityChangchun 130012People’s Republic of China Key Laboratory of Photonic and Electronic Bandgap Materials Ministry of Educationand College of Chemistry and Chemical EngineeringHarbin Normal UniversityHarbin 150025People’s Republic of China College of Chemistry Jilin UniversityChangchun 130012People’s Republic of China Department of Physics and Astronomy and Department of Chemistry University of MissouriColumbiaMO 65211USA

Electrochemical carbon dioxide reduction reaction(CO_(2)RR)involves a variety of intermediates with highly correlated reaction and ad-desorption energies,hindering optimization of the catalytic *** example,increasing the binding of the*COOH to the active site will generally increase the*CO desorption *** this relationship may be expected to dramatically improve the intrinsic activity of CO_(2)RR,but remains an unsolved ***,we addressed this conundrum by constructing a unique atomic dispersed hetero-pair consisting of Mo-Fe di-atoms anchored on N-doped carbon *** system shows an unprecedented CO_(2)RR intrinsic activity with TOF of 3336 h−1,high selectivity toward CO production,Faradaic efficiency of 95.96%at−0.60 V and excellent *** calculations show that the Mo-Fe diatomic sites increased the*COOH intermediate adsorption energy by bridging adsorption of*COOH *** the same time,d-d orbital coupling in the Mo-Fe di-atom results in electron delocalization and facilitates desorption of*CO ***,the undesirable correlation between these steps is *** work provides a promising approach,specifically the use of di-atoms,for breaking unfavorable relationships based on understanding of the catalytic mechanisms at the atomic scale.

关键词： CO_(2)reduction reaction Atomic dispersed catalyst Hetero-diatomic pair Ad-desorption energy Linear scaling relation

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Enhancing water-dissociation kinetics and optimizing intermediates adsorption free energy of cobalt phosphide via high-valence Zr incorporating for alkaline water electrolysis

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能源化学:英文版 2023年第8期83卷 119-127,I0005页

作者： Huafeng fan Dongxu Jiao jinchang fan Dewen Wang Bilal Zaman Wei Zhang Lei Zhang Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials of MOEJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsElectron Microscopy CenterJilin UniversityChangchun 130012JilinChina College of Chemistry Jilin UniversityChangchun 130012JilinChina

Developing high-efficiency electrocatalysts for hydrogen evolution reaction(HER) and oxygen evolution reaction(OER) is required to enhance the sluggish kinetics of water dissociation and optimize the adsorption free energy of reaction ***,we tackle this challenge by incorporating high-valence Zr into CoP(ZrxCo_(1-x)P),which significantly accelerates the elementary steps of water *** calculations indicate that the appropriate Zr incorporation effectively expedites the sluggish H2O dissociation kinetics and optimizes the adsorption energy of reaction intermediates for boosting the alkaline water *** are confirmed by the experimental results of Zr_(0.06)Co_(0.94)P catalyst that delivers exceptional electrochemical *** overpotentials at the current density of 10 mA cm^(-2)(j10) are only 62(HER) and 240 mV(OER) in alkaline ***,the Zr_(0.06)Co_(0.94)P/CC‖Zr_(0.06)Co_(0.94)P/CC system exhibits superior overall water splitting activity(1.53 V/j10),surpassing most of the reported bifunctional *** high-valence Zr incorporation and material design methods explore new avenues for realizing high-performance non-noble metal electrocatalysts.

关键词： DFT simulation Water electrolysis Cobalt phosphide High-valence Zr

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Applying machine-learning screening of single transition metal atoms anchored on N-dopedγ-graphyne for carbon monoxide electroreduction toward C_(1)products

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Nano Research 2023年第8期16卷 11511-11520页

作者： Dongxu Jiao Dantong Zhang Dewen Wang jinchang fan Xingcheng Ma Jingxiang Zhao Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineeringand Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun 130012China College of Chemistry and Chemical Engineering and Key Laboratory of Photonic and Electronic Bandgap MaterialsMinistry of EducationHarbin Normal UniversityHarbin 150025China Multiscale Crystal Materials Research Center Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China

Carbon monoxide electroreduction(COER)has been a key part of tandem electrolysis of carbon dioxide(CO_(2)),in which searching for high catalytic performance COER electrocatalysts remains a great ***,by means of density functional theory(DFT)computations,we explored the potential of a series of transition metal atoms anchored on N-dopedγ-graphyne(TM@N-GY,TM from Ti to Au)as the COER *** found that the final product selectivity of these single-atom catalysts depended on the position of the metal atom in the periodic table,with metals in the front and middle of each periodic period exhibiting high selectivity for CH_(4),while metals in the back producing CH_(3)*** learning(ML)found that metal atomic number was intrinsic to the difference in COER performance of these single-atom catalysts(SACs).The free energy changes showed that Mn@N-GY and Ni@N-GY exhibited outstanding COER catalytic performance for producing CH_(4)and CH_(3)OH,*** results provide theoretical and experimental guidance for designing efficient COER catalysts to generate C_(1)products.

关键词： CO electroreduction single atom catalysts γ-graphyne density functional theory machine learning

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Highly active zigzag-like Pt-Zn alloy nanowires with high-index facets for alcohol electrooxidation

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Nano Research 2019年第5期12卷 1173-1179页

作者： Yanchao Xu Xiaoqiang Cui Shuting Wei Qinghua Zhang Lin Gu fanqi Meng jinchang fan Weitao Zheng State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials of MOE and Jilin UniversityChangchun 130012China Laboratory of Advanced Materials and Electron Microscopy Beijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China

The development of highly efficient Pt-based alloy nanocatalysts is important but remains challenging for fuel cells ***,a new class of zigzag-like platinum-zinc (Pt-Zn) alloy nanowires (NWs) with rough surface and controllable composition is *** merits of anisotropic one-dimensional nanostructure,stable high-index facets and coordinatively unsaturated Pt sites endow the composition-optimal Pt94Zn6 NWs with a mass activity of 7.2 and 6.2 times higher than that of commercial Pt black catalysts toward methanol/ethanol oxidation,***-induced d-band electron modulation and lattice strain effects weaken the adsorption strength of poisoning species,which originally enhances the catalytic activity of Pt-Zn *** study provides a new perspective of Pt-Zn electrocatalysts with intrinsic mechanism for enhanced catalytic performance.

关键词： Pt-Zn nanowires zigzag-like high-index facets d-band center strain effects alcohol oxidation

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Engineering Thermoelectric Performance of α-GeTe by Ferroelectric Distortion

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Energy & Environmental Materials 2024年第2期7卷 171-179页

作者： Yuting fan Chenghao Xie Jun Li Xiangyu Meng jinchang Sun Jinsong Wu Xinfeng Tang Gangjian Tan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China International School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

The rhombohedralα-GeTe can be approximated as a slightly distorted rock-salt structure along its[111]direction and possesses superb thermoelectric ***,the role of such a ferroelectric-like structural distortion on its transport properties remains ***,we performed a systematic study on the crystal structure and electronic band structure evolutions of Ge_(1-x)Sn_(x)Te alloys where the degree of ferroelectric distortion is continuously *** is revealed that the band gap is maximized while multiple valence bands are converged at x=0.6,where the ferroelectric distortion is the least but still *** undistorted,the band gap is considerably reduced,and the valence bands are largely separated ***,near the ferro-to-paraelectric phase transition Curie temperature,the lattice thermal conductivity reaches its minima because of significant lattice softening enabled by ferroelectric *** predict a peak ZT value of 2.6 at 673 K inα-GeTe by use of proper dopants which are powerful in suppressing the excess hole concentrations but meanwhile exert little influence on the ferroelectric distortion.

关键词： electronic band structures ferroelectric distortion lattice softening thermoelectric α-GeTe

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Outer delocalized electron aggregation of bromide bridged core–shell CuBr@C for hydrogen evolution reaction

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Nano Research 2023年第5期16卷 6608-6614页

作者： Tianyi Xu Ruoyu Li Lei Zhang Dongxu Jiao Yilong Dong Ming Gong Dantong Zhang jinchang fan Dewen Wang Yanhua Liu Xiao Zhao Wei Zhang Weitao Zheng Xiaoqiang Cui State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials of MOEJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsElectron Microscopy CenterJilin UniversityChangchun 130012China College of Chemistry Jilin UniversityChangchun 130012China Center of Multiscale Crystal Materials Research Institute of Advanced Materials Science and EngineeringShenzhen Intitute of Advanced TechnologyChinese Academy of ScienceShenzhen 518055China

Modulation of the surface electron distribution is a challenging problem that determines the adsorption ability of catalytic ***,we address this challenge by bridging the inner and outer layers of the core–shell structure through the bridge Br *** shell wrapped copper bromide nanorods(CuBr@C)are constructed for the first time by chemical vapour deposition with hexabromobenzene(HBB).HBB pyrolysis provides both bridge Br atom and C *** C shell protects the stability of the internal halide structure,while the bridge Br atom triggers the rearrangement of the surface electrons and exhibits excellent electrocatalytic ***,the hydrogen evolution reaction(HER)activity of CuBr@C is significantly better than that of commercial N-doped carbon nanotubes,surpassing commercial Pt/C at over 200 mA·cm^(−2).Density functional theory(DFT)calculations reveal that bridge Br atoms inspire aggregation of delocalized electrons on C-shell surfaces,leading to optimization of hydrogen adsorption energy.

关键词： bridge Br atoms delocalized electron aggregation core–shell nanorods C-shell wrapped CuBr hydrogen evolution reaction

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Enhancing hydrogen evolution and oxidation kinetics through oxygen insertion into nickel lattice

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Journal of Energy Chemistry 2024年第8期95卷 529-539,I0012页

作者： Wanli Liang Xiyu Gong jinchang Xu Zixuan Dan fanyan Xie Hulei Yu Hao-fan Wang Yanshuo Jin Hongjuan Wang Yonghai Cao Hui Meng Hao Yu School of Chemistry and Chemical Engineering South China University of TechnologyGuangzhou 510641GuangdongChina Siyuan Laboratory Guangzhou Key Laboratory of Vacuum Coating Technologies and New Energy MaterialsGuangdong Provincial Engineering Technology Research Center of Vacuum Coating Technologies and New Energy MaterialsGuangdong Provincial Key Laboratory of Optical Fiber Sensing and CommunicationsDepartment of PhysicsJinan UniversityGuangzhou 510632GuangdongChina GBA Branch of Aerospace Information Research Institute Chinese Academy of SciencesGuangzhou 510700GuangdongChina Instrumental Analysis&Research Center Sun Yat-sen UniversityGuangzhou 510275GuangdongChina School of Materials Science and Engineering South China University of TechnologyGuangzhou 510641GuangdongChina

Nickel-based materials,including metallic Ni and Ni oxide,have been widely studied in the exploration of non-precious-metal hydrogen electrocatalysts,but neither pure Ni nor NiO is ideal for the hydrogen evolution reaction(HER)and hydrogen oxidation reaction(HOR).In this paper,an oxygen insertion strategy was applied on nickel to regulate its hydrogen electrocatalytic performance,and the oxygen-inserted nickel catalyst was successfully obtained with the assistance of tungsten dioxide support(denoted as O-Ni/WO_(2)).The partial insertion of oxygen in Ni maintains the face-centered cubic arrangement of Ni atoms,simultaneously expanding the lattice and increasing the lattice ***,the adsorption strength of^(*)H and^(*)OH on Ni is optimized,thus resulting in superior electrocatalytic performance of0-Ni/WO_(2)in alkaline HER/*** Tafel slope of O-Ni/WO_(2)@NF for HER is 56 mV dec^(-1),and the kinetic current density of O-Ni/WO_(2)for HOR reaches 4.85 mA cm^(-2),which is ahead of most currently reported *** proposed strategy of inserting an appropriate amount of anions into the metal lattice could provide more possibilities for the design of high-performance catalysts.

关键词： Hydrogen evolution Hydrogen oxidation Nickel Oxygen insertion Adsorption free energy

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子宫动脉栓塞术治疗子宫疤痕妊娠的临床观察与护理分析

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中国继续医学教育 2018年第12期10卷 157-158页

作者：范锦常广州中医药大学第一附属医院妇科广东广州510405

目的分析子宫动脉栓塞术治疗子宫疤痕妊娠的临床观察与护理效果。方法选取我院子宫疤痕妊娠患者86例作为研究对象,将子宫疤痕妊娠患者86例随机分为观察组、对照组,所有患者均实施子宫动脉栓塞术治疗,观察组43例患者实施针对性护理,对照... 详细信息

目的分析子宫动脉栓塞术治疗子宫疤痕妊娠的临床观察与护理效果。方法选取我院子宫疤痕妊娠患者86例作为研究对象,将子宫疤痕妊娠患者86例随机分为观察组、对照组,所有患者均实施子宫动脉栓塞术治疗,观察组43例患者实施针对性护理,对照组43例患者实施常规护理。结果观察组子宫疤痕妊娠患者的满意度为95.35%,高于对照组患者满意度83.72%,差异具有统计学意义(P<0.05);观察组子宫疤痕妊娠患者的不良反应发生率为4.65%,低于对照组患者,差异具有统计学意义(P<0.05)。结论通过对子宫疤痕妊娠患者实施针对性护理,取得显著效果。

关键词：子宫动脉栓塞术子宫疤痕妊娠护理效果

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Erratum to:Highly active zigzag-like Pt-Zn alloy nanowires with high-index facets for alcohol electrooxidation

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Nano Research 2019年第8期12卷 1973-1973页

作者： Yanchao Xu Xiaoqiang Cui Shuting Wei Qinghua Zhang Lin Gu fanqi Meng jinchang fan Weitao Zheng State Key Laboratory of Automotive Simulation and Control School of Materials Science and EngineeringKey Laboratory of Automobile Materials oj MOE and Jilin UniversityChangchun 130012China Laboratory of Advanced Materials and Electron Microscopy Beijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China

The article Highly active zigzag-like Pt-Zn alloy nanowires with high-index facets for alcohol electrooxidation, written by Xiaoqiang Cui and Weitao Zheng, was erroneously originally published electronically on the publisher’s internet portal (currently SpringerLink) on 6 April 2019 with incomplete Electronic Supplementary Material (ESM), which should contain 16 figures and 3 tables. You will find the complete supplementary material file online linked to this publisher’s erratum.

关键词： Erratum electrooxidation nanowires

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