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Low-strain TiP_(2)O_(7) withthree-dimensionalionchannelsas long-life and high-rate anode material for Mg-ion batteries

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Interdisciplinary materials 2022年第1期1卷 140-147页

作者： Fangyu Xiong Yalong Jiang Li Cheng Ruohan Yu Shuangshuang Tan Chen Tang Chunli Zuo Qinyou An Yunlong Zhao Jean-Jacques Gaumet Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhanChina Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory FoshanChina Advanced Technology Institute University of SurreyGuildfordSurreyUK Laboratoire de Chimie et Physique:Approche Multi-echelles des Milieux Complexes Institut Jean BarriolUniversitede LorraineMetzFrance

Rechargeable magnesium batteries are identified as a promising next-generation energy storage system,but their development is hindered by the anode−electrolyte−cathode incompatibilities and passivation of magnesium metal *** avoid or alleviate these problems,the exploitation of alternative anode materials is a promising ***,we present titanium pyrophosphate(TiP_(2)O_(7))as anode materials for magnesium-ion batteries(MIBs)and investigate the effect of the crystal phase on its magnesium storage *** with the me-tastable layered TiP_(2)O_(7),the thermodynamically stable cubic TiP_(2)O_(7) displays a better rate capability of 72 mAh g^(−1) at 5000 mA g^(−1).Moreover,cubic TiP_(2)O_(7) exhibits excellent cycling stability with the capacity of 60 mAh g^(−1) after 5000 cycles at 1000 mA g^(−1),which are better than pre-viously reported Ti-based anode materials for *** situ X-ray diffraction technology confirms the single-phase magnesiumion inter-calation/deintercalation reaction mechanism of cubic TiP_(2)O_(7) with a low volume change of 3.2%.In addition,the density functional theory calcu-lation results demonstrate that three-dimensional magnesiumion diffu-sion can be allowed in cubic TiP_(2)O_(7) with a low migration energy barrier of 0.62 *** work demonstrates the promise of TiP_(2)O_(7) as high-rate and long-life anode materials for MIBs and may pave the way for further development of MIBs.

关键词： anode material intercalation low-strain Mg-ion battery TiP_(2)O_(7)

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Band convergence boosted high thermoelectric performance of Zintl compound Mg_(3)Sb_(2) achieved by biaxial strains

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Journal of Materiomics 2022年第5期8卷 1086-1094页

作者： Suiting Ning Shan Huang Ziye Zhang Ning Qi Man Jiang Zhiquan Chen Xinfeng Tang Hubei Nuclear Solid Physics Key Laboratory Department of PhysicsWuhan UniversityWuhan430072China Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan430073China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China

Mg_(3)Sb_(2) as a Zintl compound is a promising thermoelectric material with the intrinsically low lattice thermal conductivity and excellent n-type electrical properties,but its p-type electrical transport properties are ***,the thermoelectric performance of Mg_(3)Sb_(2) under the effect of biaxial strain is investigated by using first-principles method and Boltzmann transport *** application of biaxial strain enables tuning the band structure of Mg_(3)Sb_(2) in such a way that the band degeneracy of both the conduction band and valence band *** the biaxial strain increases,the Seebeck coefficient of ptype Mg_(3)Sb_(2) has a remarkable increase,leading to a significant improvement in power *** is mainly ascribed to the achievement of valence band orbital ***,the lattice thermal conductivity exhibits very slight biaxial strain dependence within the strain range considered in this work,which increases from 1.28 to 1.62 W m^(-1) K^(-1) at 300 ***,the highest ZT of p-type Mg_(3)Sb_(2) at 700 K can be up to 2.6 along the in-plane direction under-2.5%biaxial strain,which is almost three times that of the unstrained *** realization of high thermoelectric performance of p-type Mg_(3)Sb_(2) will promote its practical applications as thermoelectric generators.

关键词： Thermoelectric First-principles Crystal field splitting energy Band convergence

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Ultra-small platinum nanoparticles segregated by nickle sites for efficient ORR and HER processes

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Journal of Energy Chemistry 2022年第2期31卷 48-54页

作者： Lvhan Liang Huihui jin Huang Zhou Bingshuai Liu Chenxi Hu Ding Chen Jiawei Zhu Zhe Wang Hai-Wen Li Suli Liu Daping He Shichun Mu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong LaboratoryXianhu Hydrogen ValleyFoshan 528200GuangdongChina Hubei Engineering Research Center of RF-Microwave Technology and Application Wuhan University of TechnologyWuhan 430070HubeiChina Platform of Inter/Transdisciplinary Energy Research International Research Center for Hydrogen EnergyInternational Institute for Carbon-Neutral Energy ResearchYushu UniversityFukuoka 819-0395Japan Key Laboratory of Advanced Functional Materials of Nanjing Nanjing Xiaozhuang UniversityNanjing 211171JiangsuChina

In the electrochemical process,Pt nanoparticles(NPs)in Pt-based catalysts usually agglomerate due to Oswald ripening or lack of restraint,ultimately resulting in reduction of the active sites and catalytic *** to uniformly disperse and firmly fix Pt NPs on carbon matrix with suitable particle size for catalysis is still a big ***,to prevent the agglomeration and shedding of Pt NPs,Ni species is introduced and are evenly dispersed in the surface of carbon matrix in the form of Ni-N-C active sites(Ni ZIF-NC).The Ni sites can be used to anchor Pt NPs,and then effectively limit the further growth and agglomeration of Pt NPs during the reaction *** with commercial Pt/C catalyst,Pt@Ni ZIF-NC,with ultralow Pt loading(7 wt%)and ideal particle size(2.3 nm),not only increases the active center,but also promotes the catalysis kinetics,greatly improving the ORR and HER catalytic *** acidic conditions,its half-wave potential(0.902 V)is superior to commercial Pt/C(0.861 V),and the mass activity(0.38 A per mg Pt)at 0.9 V is 4.7 times that of Pt/C(0.08 A per mg Pt).Besides,it also shows outstanding HER *** 20 and 30 mV,its mass activity is even 2 and 6 times that of Pt/C,*** it is under ORR or HER conditions,it still shows excellent *** undoubtedly indicate the realization of dual-functional catalysts with low-Pt and high-efficiency properties.

关键词： Oxygen reduction reaction Hydrogen evolution reaction Zeolitic imidazolate frameworks Nickle site Pt nanoparticles

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Stretchable wireless optoelectronic synergistic patches for effective wound healing

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npj Flexible Electronics 2024年第1期8卷 233-242页

作者： Qian Wang Siyuan Cai Guang Yao Liyuan Zhang Wenhao Lou Youxin Chen Qingqing Li Maowen Xie Xingyi Gan Chenzheng Zhou Taisong Pan Min Gao Kangning Zhao Zhen Cai Yuan Lin School of Materials and Energy University of Electronic Science and Technology of ChinaChengduSichuanChina Department of Plastic Surgery Sichuan Provincial People’s HospitalUniversity of Electronic Science and Technology of ChinaChengduSichuanChina Department of Plastic and Cosmetic Surgery Xinqiao HospitalArmy Medical UniversityChongqingChina State Key Laboratory of Electronic Thin Films and Integrated Devices University of Electronic Science and Technology of ChinaChengduSichuanChina Shenzhen Institute for Advanced Study University of Electronic Science and Technology of ChinaShenzhenGuangdongChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhanHubeiChina Medico-Engineering Cooperation on Applied Medicine Research Center University of Electronic Science and Technology of ChinaChengduSichuanChina

Physiotherapies play a crucial role in noninvasive tissue engineering for wound ***,challenges such as the implementation of complex interventions and unsatisfactory treatment outcomes impede widespread ***,we proposed a stretchable and wirelessly-powered optoelectronic synergistic patch with a dual-layer serpentine wireless receiver circuit to drive the optoelectronic modulation *** structure and impedance matching enable the patch to seamlessly attach to irregular skin surfaces and operate robustly over a 30%tensile strain *** on Sprague-Dawley rat wound *** wound closure rate of the optoelectronic synergistic group significantly outperformed both monointervention and blank control ***,optoelectronic synergistic intervention enhances the secretion of vascular endothelial marker proteins and growth factors,and stabilizes mitochondrial function during oxidative ***,the scalable amalgamation of flexible electronics,wireless transmission,and synergistic interventions promise to improve wound care.

关键词： optoelectronic synergistic healing

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Nitrogen-doped porous carbon nanofoams with enhanced electrochemical kinetics for superior sodium-ion capacitor

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Rare Metals 2022年第7期41卷 2481-2490页

作者： K.Ramachandran Gokila Subburam Xian-Hu Liu Ming-Gang Huang Chun Xu Dickon H.L.Ng Ying-Xue Cui Guo-Chun Li Jing-Xia Qiu Chuan Wang Jia-Biao Lian Institute for Energy Research Jiangsu UniversityZhenjiang 212013China Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002China Key Laboratory of Fine Chemical Application Technology of Luzhou Luzhou 646099China Department of Physics The Chinese University of Hong KongHong Kong 999077China Jiangsu National Synergetic Innovation Center for Advanced Materials School of Chemistry and Molecular EngineeringInstitute of Advanced SynthesisNanjing Technology UniversityNanjing 211800China

Many electrochemical energy storage devices,such as batteries,supercapacitors,and metal ion capacitors,rely on effective and inexpensive electrode ***,we have developed highly active nitrogen-doped porous carbon nanofoams(NPCNs-600-N)for sodium-ion capacitors(SICs).NPCNs-600-N have a highly porous framework,extended interlayer spacing(0.41 nm),and lots of surface functional ***,NPCNs-600-N achieves a high reversible capacity(301 mAh·g^(-1)at 0.05 A·g^(-1)),superior rate capability(112 mAh·g^(-1)at 5.00 A·g^(-1)),and ultra-stable *** excellent rate and cycling performance originate from the abundant active sites and porous architecture of ***-more,SICs device is constructed by employing the NPCNs-600-N as the battery-like anode and commercial superconductive carbon black as the capacitive cathode,which delivers high energy/power densities of 92 Wh·kg^(-1)/15984 W·kg^(-1)with a remarkable cyclability(93%reten-tion over 5000 cycles at 1.00 A·g^(-1)).The methodology of the work enables the simultaneous tuning of the porous architectures and surface function groups of carbon for high-performance SICs.

关键词： Carbon nanofoams Nitrogen-doping Porous structure Kinetics analysis Sodium-ion capacitors

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Deep-learning enabled atomic insights into the phase transitions and nanodomain topology of lead-free(K,Na)NbO_(3) ferroelectrics

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Science China materials 2024年第9期67卷 3029-3038页

作者： Xu Zhang Bei Li Ji Zou Hanxing Liu Ben Xu Kai Liu School of Materials Science and Engineering Research Center for Materials Genome EngineeringWuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China International School of Materials Science and Engineering Wuhan University of TechnologyWuhan430070China Graduate School China Academy of Engineering PhysicsBeijing100193China

Lead-free K_(x)Na_(1-x)NbO_(3)(KNN)perovskites have garnered increasing attention due to their exceptional ferropiezoelectric properties,which are effectively tuned via polymorphic structures and domain ***,atomic insights into the underlying nanomechanisms governing the ferroelectricity of KNNs amidst varying factors such as composition,phase,and domain are still ***,we perform molecular dynamics simulations of phase transitions and domain dynamics for KNNs with various K/Na ratios(x=0.25∼1.0)by using ab-initio accuracy deep learning potential(DP).As a demonstration of its transferability,the newly developed DP model shows quantum accuracy in terms of the equation of states,elastic constants,and phonon dispersion relations for various KNbO_(3)and K_(0.5)Na_(0.5)NbO_(3).Furthermore,intricate temperature-dependent phase transitions and domain formation of KNNs are extensively and quantitatively *** indicate that for KNNs with compositions x ranging from 0.25 to 1.0,the paraelectric-to-ferroelectric phase transition of KNNs is driven primarily by the order-disorder effect,while the displacive effect is dominant in the subsequent ferroelectric phase ***,flux-closure or herringbone-like nanodomain patterns arranged with 90°domain walls formed close to the experimental *** analyses reveal that favorable 90°domain wall formation becomes more challenging with increasing Na content due to distinct oxygen octahedron distortion arising from the different ionic radii of K/Na *** is envisioned that the combination of unified DP and atomistic simulations will help offer a robust solution for more accurate and efficient in silico explorations of complex structural,thermodynamic,and ferroelectric properties for relevant energy storage and conversion materials.

关键词： KNN molecular dynamics deep potential phase transitions domain dynamics

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Carboxymethyl chitosan-alginate enhances bone repair effects of magnesium phosphate bone cement by activating the FAK-Wnt pathway

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Bioactive materials 2023年第2期20卷 598-609页

作者： Ling Yu Tian Gao Wei Li Jian Yang Yinchu Liu Yanan Zhao Ping He Xuefeng Li Weichun Guo Zhengfu Fan Honglian Dai Department of Orthopedic Surgery I(Spine Surgery) Renmin Hospital of Wuhan UniversityWuhan430060China Department of Bone and Soft Tissue Tumor Key Laboratory of Carcinogenesis and Translational ResearchMinistry of EducationPeking University Cancer Hospital&InstituteBeijing100000China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Biomedical Materials and Engineering Research Center of Hubei ProvinceWuhan University of TechnologyWuhan430070China Department of Orthopedic Surgery Renmin Hospital of ShayangJingmen448200China

There is a continuing need for artificial bone substitutes for bone repair and reconstruction,Magnesium phosphate bone cement(MPC)has exceptional degradable properties and exhibits promising ***,its mechanical strength needs improved and its low osteo-inductive potential limits its therapeutic application in bone *** functionally modified MPC by using a polymeric carboxymethyl chitosan-sodium alginate(CMCS/SA)gel *** had the advantages of:improved compressive strength,ease of handling,and an optimized interface for bioactive bone *** new composites with 2%CMCS/SA showed the most favorable physicochemical properties,including mechanical strength,wash-out resistance,setting time,injectable time and heat ***,the composite promoted the attachment and proliferation of osteoblast *** was also found to induce osteogenic differentiation in vitro,as verified by expression of osteogenic *** terms of molecular mechanisms,data showed that new bone cement activated the Wnt pathway through inhibition of the phosphorylation ofβ-catenin,which is dependent on focal adhesion *** micro-computed tomography and histological analysis,we found that the MPC-CMCS/SA scaffolds,compared with MPC alone,showed increased bone regeneration in a rat calvarial defect ***,our study suggested that the novel composite had potential to help repair critical bone defects in clinical practice.

关键词： Critical bone defect Magnesium phosphate cement Carboxymethyl chitosan Sodium alginate Osteogenic differentiation

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Machine learning in energy storage materials

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Interdisciplinary materials 2022年第2期1卷 175-195页

作者： Zhong-Hui Shen Han-Xing Liu Yang Shen Jia-Mian Hu Long-Qing Chen Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhanChina International School of Materials Science and Engineering Wuhan University of TechnologyWuhanChina State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijingChina Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWisconsinUSA Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPennsylvaniaUSA

With its extremely strong capability of data analysis,machine learning has shown versatile potential in the revolution of the materials research ***,taking dielectric capacitors and lithium‐ion batteries as two representa-tive examples,we review substantial advances of machine learning in the research and development of energy storage ***,a thorough discussion of the machine learning framework in materials science is ***,we summarize the applications of machine learning from three aspects,including discovering and designing novel materials,enriching theoretical simulations,and assisting experimentation and ***,a brief outlook is highlighted to spark more insights on the innovative implementation of machine learning in materials science.

关键词： dielectric capacitor energy storage lithiumion battery machine learning

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Smart ZnS@C filler for super-anticorrosive self-healing zinc-rich epoxy coating

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Nano Research 2022年第5期15卷 4756-4764页

作者： Kai Yang Yixue Duan Guicheng Liu Guoyan Ma Hao Fu Xuyong Chen Manxiang Wang Gangqiang Zhu Woochul Yang Yiding Shen Shaanxi Key Laboratory of Chemical Additives for Industry Shaanxi University of Science and TechnologyXi’an 710021China Department of Physics Dongguk UniversitySeoul 04620Republic of Korea State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China College of Chemistry and Chemical Engineering Xi'an Shiyou UniversityXi'an 710065China School of physics and Information Technology Shaanxi Normal UniversityXi’an 710062China

The zinc-rich epoxy cathodic protection coating is the most widely used anticorrosion material for marine ***,traditional conductive fillers lack the intelligent self-healing effect,which limits the long-term anticorrosion ***,with uniform carbon-coated ZnS(ZnS@C)nanoballs as the smart active release filler,we propose an anticorrosive and self-healing zinc-rich maleic anhydride epoxy *** to the high pore filling efficiency of the nanoballs,the water vapor transmission rate of the coating with an initial corrosion efficiency of 99.92%and a low-frequency impedance of|Z|f=10mHz=3.88×10^(10) Ω·cm^(2),was reduced by 52%.The carbon-shell of the nanoball increases electron transmission paths in the coating and improves conductivity by nearly two orders of magnitude,which effectively activates more Zn-sites and extends the cathodic protection ***,once the steel-substrate undergoes regional corrosion,the SO_(4)^(2-)hydrolyzes from the ZnS-core of the nanoball and reacts with iron ions on the corroded area accurately and intelligently to fill the gap and self-heals into a new dense barrier layer(Fe_(2)(SO_(4))_(3),etc.),which significantly improves the shielding protection ability during the long-term usage of the *** effective anticorrosion time of the proposed coating could be up to 3,400 h.

关键词： smart ZnS@C fller microemulsion-carbonization method zinc-rich epoxy coating anticorrosion self-healing

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Potential-Dependent Activities in Interpreting the Reaction Mechanism of Dual-Metal Atom Catalysts for Li-Co2 Batteries

SSRN

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SSRN 2024年

作者： Liu, Xiaolin Zhou, Mengjun Liao, Xiaobin Zhao, Yan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China State Key Laboratory of Silicate Materials for Architectures Wuhan University of Science and Technology China

The utilization of CO2 electrochemistry in energy storage has been considered as a promising power source due to its high theoretical energy density, high electrochemical potential, and ability to fix CO2. However, the low efficiency and poor reversibility of Li-CO2 evolution significantly impede the applications of Li-CO2 batteries. Herein, first-principles calculations were employed to investigate the 21 M1M2N4C active sites and explore the catalytic mechanism for the Li-CO2 evolution reaction. The adsorption and activation of CO2 on the thermodynamically stable DACs show that the TM atoms in M1M2N4C center sites with decreasing d-band center appeared to increase CO2 adsorption energy. Among the active sites, the MoMoN4C shows the most robust activation interaction with CO2 due to its high d-center and strong d-p orbital coupling. The implicit solvent CEP simulations verify the effects of dual-atom sites on the products' activities and selectivity by searching the possible reaction pathways toward the battery-discharging processes in the ether electrolyte. The decomposition of *Li2CO3 was simulated by the NEB calculations. The results prove that the MoMoN4C active site can boost the reaction dynamics and exhibit high reversibility for the Li-CO2 battery. © 2024, The Authors. All rights reserved.

关键词： Carbon dioxide

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