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Passivation of PEA^(+)to CsPbI_(3)(110)Surface states:From the First Principles Calculations

Journal of Renewable materials 2023年第3期11卷 1293-1301页

作者： Wei Hu Fengjuan Si Hongtao Xue Wensheng Li Jun Hu Fuling Tang School of Materials Science and Engineering State Key Laboratory of Advanced Processing and Recycling of Nonferrous MetalsLanzhou University of TechnologyLanzhou730050China Department of Materials Engineering Lanzhou Institute of TechnologyLanzhou730050China School of Peili Mechanical Engineering Lanzhou City CollegeLanzhou730070China School of Chemical Engineering Northwest UniversityXi’an710069China

This work investigates the effect of passivation on the electronic properties of inorganic perovskite CsPbI_(3)materials by using first-principles calculations with density functional theory(DFT).The passivation effect after the addition of Phenylethylamine(PEA+)molecule to CsPbI_(3)(110)surface is *** results of density of states(DOS)calculations show that the CsPbI_(3)(110)surface model with I atom terminated reveals new electronic DOS peaks(surface states)near the Fermi *** surface states are mainly due to the contribution of I-5p orbital and are harmful to the CsPbI_(3)-based solar cells because they reduce the photoelectric conversion *** surface states near the Fermi level are significantly reduced,and the decline rate reaches 38.8%with the addition with PEA+molecule to the CsPbI3(110)surface.

关键词： First-principles calculations surface states passivation

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Regulation of the sintering trajectory of Ho,Pr:Y_(2)O_(3) ceramics for 2.9μm mid-infrared lasers by atmospheric sintering

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Journal of advanced Ceramics 2025年第1期14卷 81-89页

作者： Qing Li Fei Liang Jun Wang Yan Ling Xue Jie Ma Peng Liu Shiyu Sun Zhan Hui Jian Zhang Changhua Zhang Lili Hu Haohai Yu Huaijin Zhang Dingyuan Tang State Key Laboratory of Crystal Materials and Institute of Crystal Materials Shandong UniversityJinan 250100China Jiangsu Key Laboratory of Advanced Laser Materials and Devices School of Physics and Electronic EngineeringJiangsu Normal UniversityXuzhou 221116China Shanghai Key Laboratory of Multidimensional Information Processing School of Communication and Electronics EngineeringEast China Normal UniversityShanghai 200241China Shanghai Branch Hefei National Laboratoryand Shanghai Research Center for Quantum SciencesShanghai 201315China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China Shanghai Institute of Optics and Fine Mechanics Chinese Academy of SciencesShanghai 201800China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai 201899China Future Technology School Shenzhen Technology UniversityShenzhen 518118China

The sintering trajectory of the Ho,Pr:Y_(2)O_(3) ceramics could be effectively adjusted by sintering in a flowing oxygen atmosphere instead of *** final-stage grain growth was significantly suppressed by the use of oxygen atmosphere presintering,resulting in smaller average grain sizes than those of samples sintered under vacuum,while the same relative density was *** hot isostatic pressing(HIP),the oxygen presintered Ho,Pr:Y_(2)O_(3) ceramics achieved excellent optical quality,with transmittance exceeding 80%at a wavelength of 680 *** codoping of Pr^(3+) as deactivating ions effectively depopulated the lower energy level 5I7 during the Ho^(3+):^(5)I_(6)→^(5)I_(7) transition,thereby making the Ho,Pr:Y_(2)O_(3) ceramics more conducive to promoting population inversion in the 2.9μm laser wavelength range.

关键词： Y_(2)O_(3) ceramics sintering trajectory Ho^(3+)/Pr^(2+) mid-infrared laser fluorescence properties

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Enhancing Green Ammonia Electrosynthesis Through Tuning Sn Vacancies in Sn‑Based MXene/ MAX Hybrids

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Nano-Micro Letters 2024年第5期16卷 154-168页

作者： Xinyu Dai Zhen‑Yi Du Ying Sun Ping Chen Xiaoguang Duan Junjun Zhang Hui Li Yang Fu Baohua Jia Lei Zhang Wenhui Fang Jieshan Qiu Tianyi Ma Key Laboratory for Green Synthesis and Preparative Chemistry of Advanced Materials of Liaoning Province College of ChemistryInstitute of Clean Energy ChemistryLiaoning UniversityShenyang 110036People’s Republic of China State Key Laboratory of Clean and Efficient Coal Utilization Taiyuan University of TechnologyTaiyuan 030024People’s Republic of China School of Chemistry and Chemical Engineering Anhui UniversityHefei 230601People’s Republic of China School of Chemical Engineering The University of AdelaideAdelaideSA 5005Australia State Key Laboratory of High‑Efficiency Utilization of Coal and Green Chemical Engineering College of Chemistry and Chemical EngineeringNingxia UniversityYinchuan 750021NingxiaPeople’s Republic of China School of Science RMIT UniversityMelbourneVIC 3000Australia Guangdong Provincial Key Laboratory of Advanced Energy Storage Materials School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510640People’s Republic of China College of Chemical Engineering State Key Laboratory of Chemical Resource EngineeringBeijing University of Chemical TechnologyBeijing 100029People’s Republic of China

Renewable energy driven N_(2) electroreduction with air as nitrogen source holds great promise for realizing scalable green ammonia ***,relevant out-lab research is still in its ***,a novel Sn-based MXene/MAX hybrid with abundant Sn vacancies,Sn@Ti_(2)CTX/Ti_(2)SnC–V,was synthesized by controlled etching Sn@Ti_(2)SnC MAX phase and demonstrated as an efficient electrocatalyst for electrocatalytic N2 *** to the synergistic effect of MXene/MAX heterostructure,the existence of Sn vacancies and the highly dispersed Sn active sites,the obtained Sn@Ti2CTX/Ti_(2)SnC–V exhibits an optimal NH_(3) yield of 28.4μg h^(−1) mg_(cat)^(−1) with an excellent FE of 15.57% at−0.4 V versus reversible hydrogen electrode in 0.1 M Na_(2)SO_(4),as well as an ultra-long ***,this catalyst represents a satisfactory NH3 yield rate of 10.53μg h^(−1) mg^(−1) in the home-made simulation device,where commercial electrochemical photovoltaic cell was employed as power source,air and ultrapure water as feed *** as-proposed strategy represents great potential toward ammonia production in terms of financial cost according to the systematic technical economic *** work is of significance for large-scale green ammonia production.

关键词： Green ammonia synthesis N2 electroreduction Renewable energy Sn MXene/MAX hybrid

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Effects of Cracks on the Mass Transfer of Polymer Electrolyte Membrane Fuel Cell with High Performance Membrane Electrode Assembly

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Journal of Wuhan University of technology(materials Science) 2021年第3期36卷 318-330页

作者： SHI Jinrong ZHAN Zhigang ZHANG Di YU Yuan YANG Xiaoxiang HE Luyan PAN Mu Foshan Xianhu Laboratory Foshan 528000China State Key Laboratory of Advanced Technology for Materials Synthesis and Pro-cessing Wuhan University of TechnologyWuhan 430070China

A two-dimensional geometric model is developed for a polymer electrolyte based on the liquid water penetration mechanism in the membrane electrode assemblies under the action of capillary *** effects of the diameter,number,and distribution of cracks in the micro-pore layers(MPLs)of the modeled MEA on the performance of the PEMFC are simulated to investigate the influence of mass transfer across the *** results indicate that liquid water in the catalyst layer(CL)of the MEA can be discharged to gas channels through the cracks in MEA under the action of capillary pressure,thereby alleviating the flooding in the CL and enhancing the diffusion of oxygen to the *** the proportion of the total area of cracks in the active area of the MEA was 8%-12%,crack diameter was 20-30μm,and cracks were distributed *** with and without cracks were prepared,fuel cells were assembled,and their performance was *** effects of cracks on mass transfer were then *** study helps prepare MEAs with controllable cracks.

关键词： PEMFC MEA cracking liquid saturation oxygen concentration transfer

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Covalent organic framework-based nanoplatforms with tunable mechanical properties for drug delivery and cancer therapy

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Mechanobiology in Medicine 2023年第2期1卷 35-45页

作者： Liefeng Hu Yonggang Lv School of Materials Science and Engineering Wuhan Textile UniversityWuhan430200 PR China State Key Laboratory for New Textile Materials&Advanced Processing Technology Wuhan Textile UniversityWuhan430200 PR China

Covalent organic frameworks(COFs)are emerging crystalline porous materials composed of covalently linked and periodically arranged organic molecules,which exhibit mechanical properties mediated by structural ***,the tunable mechanical properties of COFs have been widely applied in drug delivery and cancer ***,we first summarize the regulation strategies of COFs with different mechanical strengths,such as structural dimensions,pore sizes,and host–guest interaction ***,the remarkable achievements of COFs with different mechanical properties in drug delivery and cancer therapy in recent years are ***,the mechanical strength regulation of COFs and the remaining challenges for biomedical applications are *** review provides a more comprehensive understanding of the application of COFs systems with tunable mechanical properties in the field of biomedicine,and promotes the development of interdisciplinary research between COFs materials and nanomedicine.

关键词： Covalent organic frameworks Mechanical properties Drug delivery Cancer therapy Nanomedicine

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Mn,N co-doped Co nanoparticles/porous carbon as air cathode for highly efficient rechargeable Zn-air batteries Hide Author's Information

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Nano Research 2022年第3期15卷 1942-1948页

作者： Hanzhen Zheng Fei Ma Hongcen Yang Xiaogang Wu Rui Wang Dali Jia Zhixia Wang Niandi Lu Fen Ran Shanglong Peng National&Local Joint Engineering Laboratory for Optical Conversion Materials and Technology School of Physical Science and TechnologyLanzhou UniversityLanzhou 730000China State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals School of Material Science and EngineeringLanzhou University of TechnologyLanzhou 730050China

Oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)are generally catalyzed by precious metals(Pt)and metal oxides(IrO_(2))which still have many shortages including expensive price,poor selectivity and undesirable *** this work,we report a Mn0-doped CoN_(x) on N-doped porous carbon(Mn-CoN_(x)/N-PC)composite from carbonizing metal-organic framework(MOF)derivative as the dual-functional catalyst to boost both the ORR and OER *** to the strong coordination effect between nitrogen and metal elements,the introduction of N can obviously improve the content of Co-N-C active sites for ***,the Mn-doping significantly regulates the electronic structure of the Co element and increases the content of Co^(0) which provide efficient OER active ***-CoN_(x)/N-PC catalyst delivers super dual-functional activity with a half-wave potential of 0.85 V,better than the 20%Pt/C catalyst(0.82 V).When used in Zn-air batteries for testing,Mn-CoN_(x)/N-PC electrocatalyst shows a high power density(145 mW·cm^(−2))and good cycle performance.

关键词： bifunctional electrocatalysts Co-N-C Mn-doped Zn-air batteries

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Flexible and highly-sensitive pressure sensor based on controllably oxidized MXene

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InfoMat 2022年第9期4卷 60-71页

作者： Yanan Ma Yongfa Cheng Jian Wang Si Fu Mengjun Zhou Yue Yang Baowen Li Xin Zhang Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices&International School of Materials Science and EngineeringWuhan University of TechnologyWuhanChina School of Mathematics Physics and Optoelectronic EngineeringHubei University of Automotive TechnologyShiyanChina Center for Nanoscale Characterization&Devices(CNCD) Wuhan National Laboratory for Optoelectronics(WNLO)Huazhong University of Science and Technology(HUST)WuhanChina Information Materials and Intelligent Sensing Laboratory of Anhui Province Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of EducationInstitutes of Physical Science and Information TechnologyAnhui UniversityHefeiChina State Key Lab of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijingChina

Conductive Ti_(3)C_(2)T_(x)MXenes have been widely investigated for the construction of flexible and highly-sensitive pressure *** the inevitable oxidation of solution-processed MXene has been recognized,the effect of the irreversible oxidation of MXene on its electrical conductivity and sensing properties is yet to be ***,we construct a highly-sensitive and degradable piezoresistive pressure sensor by coating Ti_(3)C_(2)T_(x)MXene flakes with different degrees of in situ oxidation onto paper substrates using the dipping-drying *** situ oxidation can tune the intrinsic resistance and expand the interlayer distance of MXene *** partially oxidized MXene-based piezoresistive pressure sensor exhibits a high sensitivity of 28.43 kPa^(-1),which is greater than those of pristine MXene,over-oxidized MXene,and state-of-the-art paper-based pressure ***,these sensors exhibit a short response time of 98.3 ms,good durability over 5000 measurement cycles,and a low force detection limit of 0.8 ***,MXene-based sensing elements are easily degraded and environmentally *** MXene-based pressure sensor shows promise for practical applications in tracking body movements,sports coaching,remote health monitoring,and human–computer interactions.

关键词： adjustable sensitivity in situ oxidation interlayer distance MXene pressure sensor

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Co-enhancement of thermal conduction and radiation through morphologies controlling of graphene functional layer for chip thermal management

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Nano Research 2024年第10期17卷 8885-8892页

作者： Shuting Cheng Kun Wang Shichen Xu Yi Cheng Ruojuan Liu Kewen Huang Hao Yuan Wenjuan Li Yuyao Yang Fushun Liang Fan Yang Kangyi Zheng Zhiwei Liang Ce Tu Mengxiong Liu Xiaomin Yang Jingnan Wang Xuzhao Gai Yuejie Zhao Xiaobai Wang Yue Qi Zhongfan Liu State Key Laboratory of Heavy Oil Processing College of ScienceChina University of PetroleumBeijing 102249China Centre for Nanochemistry Beijing Science and Engineering Centre for NanocarbonsBeijing National Laboratory for Molecular SciencesCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China Beijing Graphene Institute(BGI) Beijing 100095China College of Energy Soochow Institute for Energy and Materials Innovations(SIEMIS)Jiangsu Provincial Key Laboratory for Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySuzhou 215006China Department of Chemistry College of Chemistry and Materials EngineeringBeijing Technology and Business UniversityBeijing 100048China

With the continuous advancements in electronics towards downsizing and integration,efficient thermal dissipation from chips has emerged as a critical factor affecting their lifespan and operational *** fan-less chip cooling system has two critical interfaces for thermal transport,which are the contact interface between the base and the chip dominated by thermal conduction,and the surface of the fins dominated by thermal *** different thermal transfer modes of these two critical interfaces pose different requirements for thermal management *** the study,a novel approach was proposed by developing graphene thermal transport functional material whose morphology could be intentionally designed via reformed plasmaenhanced chemical vapor deposition(PECVD)methods to meet the diverse requirements of heat transfer ***,graphene with multilevel branching structure of vertical graphene(BVG)was fabricated through the hydrogenassisted PECVD(H_(2)-PECVD)strategy,which contributed a high emissivity of~*** was deposited on the fins’surface and functioned as the radiation enhanced layer to facilitate the rapid radiation of heat from the heat sinks into the surrounding ***,the well-oriented vertical graphene(OVG)was successfully prepared through the vertical electric field-assisted PECVD process(EF-PECVD),which showed a high directional thermal conductivity of~53.5 W·m^(-1)·K^(-1).OVG was deposited on the contact interface and functioned as the thermal conduction enhanced layer,allowing for the quick transmission of heat from the chip to the heat *** this design concept,the two critical interfaces in the chip cooling system can be jointly enhanced,resulting in a remarkable cooling efficiency enhancement of~30.7%,demonstrating that this novel material possessed enormous potential for enhancing the performance of cooling ***,this research not only provided new design concepts for the cooling system

关键词： chip thermal management thermal conduction thermal radiation graphene morphology control

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Microstructure and tribological properties of -oriented 3C-SiC by chemical vapor deposition

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Ceramics International 2025年

作者： Yang, Wenxuan Huang, Wei Li, Cuicui Wang, Chongjie Zhang, Chitengfei Tu, Rong Zhang, Song Hubei Longzhong Laboratory No.101 Luming Road Xiangyang441000 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Hubei Technology Innovation Center for Advanced Composites Wuhan430070 China

Highly -oriented 3C-SiC coatings were fabricated by chemical vapor deposition method at different temperatures. As deposition temperature increased from 1473 K to 1773 K, the surface structure of -oriented 3C-SiC transitioned from hexagonal structure with sixfold symmetry to hill-like structure, and finally to conical porous surface composed of stacked short rods. Owing to alteration of surface structure, the hardness of 3C-SiC coatings presented a trend of initially increasing and subsequently decreasing. The 3C-SiC coating deposited at 1673 K possessed the highest hardness, with a value of 42.08 GPa. The average friction coefficient for 3C-SiC/Si3N4 pair ranged from 0.258 to 0.569. The wear rate and hardness exhibited opposite trends. Compared with 3C-SiC coatings prepared at the other three temperatures, the 3C-SiC coating deposited at 1573 K exhibited the lowest wear rate under loads of 5 N, 10 N, and 15 N. Furthermore, the lowest wear rate, recorded at 15 N, was 4.1 × 10−6 mm3/Nm, attributed to high hardness and uniform grain size. The wear mechanism of -oriented 3C-SiC coatings during dry sliding primarily involved fracture, leading to fatigue and third-body wear. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Rockwell hardness

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g-C_(3)N_(4)nanosheets coupled with CoSe_(2)as co-catalyst for efficient photooxidation of xylose to xylonic acid

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Green Energy & Environment 2025年第1期10卷 231-238页

作者： Qi Hao Yijun Liu Ren Zou Ge Shi Shilian Yang Linxin Zhong Wu Yang Xiao Chi Yunpeng Liu Shimelis Admassie Xinwen Peng State Key Laboratory of Pulp and Paper Engineering South China University of TechnologyGuangzhou510641GuangdongChina Hainan Key Laboratory of Storage&Processing of Fruits and Vegetables Agricultural Products Processing Research InstituteChinese Academy of Tropical Agricultural SciencesZhanjiangGuangdong524001China Department of Chemistry and Centre for Advanced 2D Materials(CA2DM)National University of Singapore 3 Science Drive 3 Singapore117543Singapore School of Materials Science and Hydrogen Energy Foshan UniversityFoshan528231GuangdongChina Department of Chemistry Addis Ababa UniversityPO BOX 1176Addis AbabaEthiopia

Photocatalysis has emerged as an effective approach to sustainably convert biomass into value-added ***_(2)is a promising nonprecious,efficient cocatalyst for photooxidation,which can facilitate the separation of photogenerated electron–holes,increase the reaction rates,and enhance photocatalytic *** this work,we synthesized a stable and efficient photocatalysis system of CoSe_(2)/g-C_(3)N_(4)through attaching CoSe_(2)on g-C_(3)N_(4)sheets,with a yield of 50.12%for the selective photooxidation of xylose to xylonic *** light illumination,the photogenerated electrons were prone to migrating from g-C_(3)N_(4)to CoSe_(2)due to the higher work function of CoSe_(2),resulting in the accelerated separation of photogenerated electron–holes and the promoted ***,this study reveals the unique function of CoSe_(2),which can significantly promote oxygen adsorption,work as an electron sink and accelerate the generation of ·O_(2)^(-),thereby improving the selectivity toward xylonic acid over other *** work provides useful insights into the design of selective photocatalysts by engineering g-C_(3)N_(4)for biomass high-value utilization.

关键词： Biomass photooxidation Hemicelluloses Xylose g-C_(3)N_(4) Xylonic acid

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