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Promoted CO2 electroreduction over indium-doped SnP3: A computational study

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Journal of Energy Chemistry 2020年第9期29卷 1-6,I0001页

作者： Yuefeng Zhang Wenchao Zhang yuezhan feng Jianmin Ma School of Physics and Electronics Hunan UniversityChangsha 410082HunanChina Institute for Superconducting and Electronic Materials(ISEM) School of MechanicalMaterialsMechatronics&Biomedical EngineeringFaculty of Engineering and Information SciencesUniversity of WollongongNSW 2500Australia Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002HenanChina

It is generally considered that the hydrogenation of CO2 is the critical bottleneck of the CO2 *** this work,with the aid of density functional theory(DFT)calculations,the catalytic hydrogenation of CO2 molecules over Indium-doped SnP3 catalyst were systematically *** doping with indium(In)atom,the energy barrier of CO2 protonation is reduced and OCHO*species could easily be *** is mainly due to the p orbital of In exhibits strong hybridization with the p orbital of O,indicating that there is a strong interaction between OCHO*and In-doped SnP3 *** a result,In-doped SnP3 possesses high-efficiency and high-selectivity for converting CO2 into HCOOH with a low limiting potential of-0.17 *** findings will offer theoretical guidance to CO2 electroreduction.

关键词： CO2 electroreduction SnP3 Indium metal doping Formic acid First principles

S-Doped Carbon-Coated FeS_(2)/C@C Nanorods for Potassium Storage

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Acta Metallurgica Sinica(English Letters) 2021年第3期34卷 321-328页

作者： Xin Li Huaping Wang Wenchao Zhang yuezhan feng Jianmin Ma School of Physics and Electronics Hunan UniversityChangsha 410082China Institute for Superconducting and Electronic Materials(ISEM) School of MechanicalMaterials.Mechatronics and Biomedical EngineeringFaculty of Engineering and Information SciencesUniversity of WollongongWollongongNSW 2500Australia Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002China

Potassium-ion batteries(PIBs) are promising scalable energy storage system;however,one of the challenges for its potential application is the huge volume variations during cycling due to the insertion/extraction of large size potassium ***,we fabricated the S-doped carbon-coated rod-like FeS2/C@C,which not only effectively alleviate the volume variations upon cycling but also can improve electrical conductivity and maintain the structural *** an anode material for PIBs,the rod-like FeS2/C@C electrodes delivered excellent rate performance(175 mA h g-1 at 0.5 A g-1) and stable cycle performance(262 mA h g-1 after 100 cycles at 0.1 A g-1).The superior excellent performance is associated with the unique structure of FeS2/C@*** as-synthesized FeS2/C@C is demonstrated to be a potential anode for PIBs.

关键词： Iron disulfide Carbon matrix Potassium-ion batteries Nanorods Volume variations

Fe, V-co-doped C_(2)N for electrocatalytic N_(2)-to-NH_(3) conversion

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Journal of Energy Chemistry 2021年第2期30卷 303-308,I0010页

作者： Zengxi Wei Jian He Yulu Yang Zhenhai Xia yuezhan feng Jianmin Ma Advanced Catalytic Engineering Research Center of the Ministry of Education School of Physics and ElectronicsHunan UniversityChangsha 410082HunanChina Department of Materials Science and Engineering University of North TexasDentonUSA Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002HenanChina

Designing providential catalyst is the key to drive the electrochemical nitrogen reduction reactions(NRR),which is referring to multiple intermediates and products. By means of density functional theory(DFT)calculations, we studied heteronuclear bi-atom electrocatalyst(HBEC) for NRR. Our results revealed that compared to homonuclear bi-atom electrocatalyst(Fe_2@C_2N, V_2@C_2N), Fe, V-co-doped C_2N(Fe V@C_2N)had a smaller limiting potential of-0.17 V and could accelerate N_2-to-NH_3 conversion through the enzymatic pathway of NRR. Importantly, N–N bond length monotonically increases with increasing the Bader charges of adsorbed N_2 molecule but decreases with increasing the Bader charge difference of two adsorbed N atoms. Additionally, the Fe V@C_2N could suppress the production of H_2 by the preferential adsorption and reduction of N_2 molecule. Thus, the as-designed HBEC may have the outstanding electrochemical NRR performance. This work opens a new perspective for NRR by HBECs under mild conditions.

关键词： Heteronuclear bi-atom electrocatalyst Nitrogen reduction reaction Density functional theory C_(2)N Active center

Electrospun Sb2Se3@C nanofibers with excellent lithium storage properties

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Chinese Chemical Letters 2020年第3期31卷 909-914页

作者： Yan Dong yuezhan feng Jiwei Deng Pengbin He Jianmin Ma School of Physics and Electronics Hunan UniversityChangsha 410082China Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002China College of Mechanical and Electrical Engineering Central South UniversityChangsha 410083China

Antimony-based materials have become promising anodes within lithium-ion batteries(LIBs)due to their low cost and the high theoretical ***,there is a potential to further enhance the electrochemical performance of such antimony-based ***,Sb2Se3@C nanofibers(Sb2Se3@CNFs)are designed and obtained via a novel electrospinning *** electrochemically testing as an anode within LIBs,the Sb2Se3@CNFs(annealed at 600℃)delivers a remarkably good cycling performance of 625 mAh/g at 100 mA/g after 100 ***,it still remains at 490 mAh/g after 500 cycles with an applied current density of 1.0 A/*** excellent performance of the Sb2 Se3@CNFs can be attributed to the fact that the N-doped C matrices not only remit the volume expansion of materials,but also enhance the electrical and ionic conductivity thusly increasing the lithium-ion *** obtained Sb2Se3@CNFs are promising anode for LIBs in the future.

关键词： Sb2Se3 Nanofibers Electrospinning Anode Li-ion battery

Robust double-layered ANF/MXene-PEDOT:PSS Janus films with excellent multi-source driven heating and electromagnetic interference shielding properties

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Nano Research 2022年第10期15卷 9520-9530页

作者： Bing Zhou Jianzhou Song Bo Wang yuezhan feng Chuntai Liu Changyu Shen Key Laboratory of Materials Processing and Mold Ministry of Education National Engineering Research Center for Advanced Polymer Processing TechnologyZhengzhou UniversityZhengzhou 450002China

The strategy of incorporating polymers into MXene-based functional materials has been widely used to improve their mechanical properties,however with inevitable sacrifice of their electrical conductivity and electromagnetic interference(EMI)shielding *** study demonstrates a facile yet efficient layering structure design to prepare the highly robust and conductive double-layer Janus films comprised of independent aramid nanofiber(ANF)and Ti3C2Tx MXene/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)(PEDOT:PSS)*** ANF layer serves to provide good mechanical stability,whilst the MXene/PEDOT:PSS layer ensures excellent electrical *** PEDOT:PSS into the MXene layer enhances the interfacial bonding strength between the MXene and ANF layers and improves the hydrophobicity and water/oxidation resistance of MXene *** resultant ANF/MXene-PEDOT:PSS Janus film with a conductive layer thickness of 4.4μm was shown to display low sheet resistance(2.18Ω/sq),good EMI shielding effectiveness(EMI SE of 48.1 dB),high mechanical strength(155.9 MPa),and overall toughness(19.4 MJ/m^(3)).Moreover,the excellent electrical conductivity and light absorption capacity of the MXene-PEDOT:PSS conductive layer mean that these Janus films display multi-source driven heating functions,producing excellent Joule heating(382℃ at 4 V)and photothermal conversion(59.6℃ at 100 mW/m^(2))properties.

关键词： MXene double-layer structure mechanical properties electromagnetic interference(EMI)shielding electro-/photothermal conversion

2-(Trifluoroacetyl) thiophene as an electrolyte additive for high-voltage lithium-ion batteries using LiCoO_(2) cathode

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Journal of Materials Science & Technology 2020年第20期52卷 198-202页

作者： Yi Sun Jian Huang Hongfa Xiang Xin Liang yuezhan feng Yan Yu School of Materials Science and Engineering Hefei University of TechnologyHefei230009China Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou450002China Hefei National Laboratory for Physical Sciences at the Microscale Department of Materials Science and EngineeringKey Laboratory of Materials for Energy ConversionChinese Academy of SciencesUniversity of Science and Technology of ChinaHefei230026China

The development of high voltage electrolytes plays a critical role to achieve advanced lithium ion batteries with high energy *** of suitable electrolyte additives is a facile and effective way to achieve enhanced electrochemical perfo rmance at high voltage *** this work,2-(tri fluoroacetyl)thiophene(TFPN) was investigated as a functional electrolyte additive for high performance lithium ion batteries using high-voltage LiCoO2 *** cycled between 3.0 V and 4.4 V at 0.5 C,the capacity retention of the LiCoO2 cathode significantly increases from 33.2 %-90.6 % by the addition of 0.5 wt%TFPN into the baseline *** on the measurements on impedance spectra and X-ray photoelectron spectra,the improved cycling performance is attributed to the preferential oxidation of TFPN on the cathode surface and thus form a protective layer to suppress the decomposition of both electrolyte solvent and lithium *** work presents that TFPN has great potential as functional additive for the development of high-voltage and high-energy-density lithium ion batteries.

关键词： Lithium ion batteries Electrolyte additive High voltage Thiophene

Transition metal carbides in electrocatalytic oxygen evolution reaction

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Chinese Chemical Letters 2021年第1期32卷 291-298页

作者： Huaping Wang Sheng Zhu Jiwei Deng Wenchao Zhang yuezhan feng Jianmin Ma State Key Laboratory of High-Performance Complex Manufacturing College of Mechanical and Electrical EngineeringCentral South UniversityChangsha 410083.China School of Physics and Electronics Hunan UniversityChangsha 410082China Hunan Chengjin Elevator Parts Manufacturing Co. Ltd.Yueyang 414500China Institute for Superconducting and Electronic Materials(ISEM) School of MechanicalMaterialsMechatronics&Biomedical EngineeringFaculty of Engineering and Information SciencesUniversity of WollongongNSW 2500Australia Key Laboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002China

Oxygen evolution reaction(OER) is admitted to an important half reaction in water splitting for sustainable hydrogen *** sluggish four-electron process is known to be the bottleneck for enhancing the efficiency of *** this regard,tremendous efforts have been devoted to developing effective catalysts for *** addition to Ir-or Ru-based oxides taken as the benchmark,transition metal carbides have attracted ever-increasing interest due to the high activity and stability as low-cost OER *** this review,the transition metal carbides for water oxidation electrocatalysis concerning design strategies and synthesis are briefly *** typical applications for various carbides are also ***,the development trends and outlook are also discussed.

关键词： Transition metals Carbides Electrocatalysis Oxygen evolution reaction Performance

Research progress on hybrid organic-inorganic perovskites for photo-applications

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Chinese Chemical Letters 2020年第12期31卷 3055-3064页

作者： Zengxi Wei Yuhang Zhao Jie Jiang Weibo Yan yuezhan feng Jianmin Ma Advanced Catalytic Engineering Research Center of the Ministry of Education School of Physics and ElectronicsHunan UniversityChangsha 410082China Hunan Key Laboratory of Super Microstructure and Ultrafast Process School of Physics and ElectronicsCentral South UniversityChangsha 410082China Key Laboratory for Organic Electronics and Information Displays&Institute of Advanced Materials(1AM) Nanjing University of Posts&TelecommunicationsNanjing 210023China Key Lxiboratory of Materials Processing and Mold(Zhengzhou University) Ministry of EducationZhengzhou UniversityZhengzhou 450002China

Hybrid organic-inorganic perovskite materials have attracted significant atte ntion of most re searchers in recently years,which is ascribed to the superior photoelectric properties,such as the suitable band gaps for harvesting sunlight,and exhibit high optical adsorption,high charge-carrier lifetimes and long diffusion *** photodetectors,light-emitting diodes,solar cells and photocatalysts represent the remarkable applications for the hybrid organic-inorganic perovskite ***,we review the recent progress of hybrid organic-inorganic perovskite-based photodetectors,light-emitting diodes,solar cells and *** challenges and outlook for the hybrid organic-inorganic perovskitebased photodetectors,light-emitting diodes,solar cells and photocatalysts are considered.

关键词： Hybrid organic-inorganic perovskite Photodetectors Light-emitting diodes Solar cells Photocatalysts

Multi-hierarchical flexible composites towards superior fire safety and electromagnetic interference shielding

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Nano Research 2022年第10期15卷 9531-9543页

作者： Kexin Chen Miao Liu Yongqian Shi Hengrui Wang Libi Fu yuezhan feng Pingan Song College of Environment and Safety Engineering Fuzhou UniversityFuzhou 350116China College of Civil Engineering Fuzhou UniversityFuzhou 350116China Key Laboratory of Materials Processing and Mold Ministry of Education National Engineering Research Center for Advanced Polymer Processing TechnologyZhengzhou UniversityZhengzhou 450002China Centre for Future Materials University of Southern QueenslandSpringfieldQLD 4350Australia

Vast amounts of electromagnetic waves are generated in modern society,which severely endanger human health and cause instrument ***,practical application of electromagnetic shielding polymer-based materials aspires to flame ***,cellulose acetate butyrate modified ammonium polyphosphate(CAPP)and phosphoramide flame retardant decorated short carbon fiber(MSCF)were synthesized separately and then simultaneously blended into thermoplastic polyurethane(TPU)to prepare a series of flame retardant TPU ***,the multi-hierarchical flexible TPU/CAPP/MSCF composites were fabricated via our self-developed air-assisted thermocompression *** results revealed that the TPU/CAPP/MSCF showed improved thermal ***,the TPU/10CA/2.5F incorporated with 10.0 wt.%CAPP and 2.5 wt.%MSCF respectively exhibited 77.8%and 58.6%reduction in peak of heat release rate(PHRR)and total heat release(THR),compared to those of pure *** addition,the TPU/10CA/2.5F passed the UL-94 V-0 rating test and achieved a higher limit oxygen index(LOI)(27.3%)than pure TPU(21.7%).In the case of electromagnetic interference shielding effectiveness(EMI SE),the TPU/10CA/10.0F-SW with 10 wt.%CAPP and 10 wt.%MSCF dispersed in the surface layer and Ti_(3)C_(2)Tx MXene intercalated in the interlayer exhibited EMI SE of 43.8 dB in X band and 32.0 dB in K ***,synergistic effect between CAPP and MSCF together with scattered and multiply adsorbed effect of MSCF,MXene and CAPP was responsible for fire safety and EMI shielding property *** work provides a fascinating strategy for fabricating multi-hierarchical flexible TPU composites with outstanding flame retardant and EMI shielding performances.

关键词： MXene multi-hierarchical structure flame retardancy electromagnetic interference shielding air-assisted thermocompression