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Physical properties and device applications of graphene oxide

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Frontiers of physics 2020年第3期15卷 27-96页

作者： Xiao-Ming Huang Li-zhao Liu Si Zhou ji-jun zhao School of Ocean Science and Technology Dalian University of TechnologyPanjin124221China School of Mathematical and Physical Sciences Dalian University of TechnologyPanjin124221China Key Laboratory of Materials Modification by Laser Ion and Electron BeamsDalian University of TechnologyMinistry of EducationDalian116024China

Graphene oxide(GO),the functionalized graphene with oxygenated groups(mainly epoxy and hydroxyl),has attracted resurgent interests in the past decade owing to its large surface area,superior physical and chemical properties,and easy composition with other materials via surface functional ***,GO is used as an important raw material for mass production of graphene via ***,under different conditions,the coverage,types,and arrangements of oxygen-containing groups in GO can be varied,which give rise to excellent and controllable physical properties,such as tunable electronic and mechanical properties depending closely on oxidation degree,suppressed thermal conductivity,optical transparency and fluorescence,and nonlinear optical *** on these outstanding properties,many electronic,optical,optoelectronic,and thermoelectric devices with high performance can be achieved on the basis of *** we present a comprehensive review on recent progress of GO,focusing on the atomic structures,fundamental physical properties,and related device applications,including transparent and flexible conductors,field-effect transistors,electrical and optical sensors,fluorescence quenchers,optical limiters and absorbers,surface enhanced Raman scattering detectors,solar cells,light-emitting diodes,and thermal rectifiers.

关键词： graphene oxide mechanics electronics thermal properties nonlinear optics

Substitution effects on the hydrogen storage behavior of AB2 alloys by first principles

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Frontiers of physics 2011年第2期6卷 214-219页

作者： Fen LI ji-jun zhao Li-xian SUN Key Laboratory of Materials Modification by Laser Ion and Electron Beams （Dalian University of Technology） Ministry of Education Dalian 116024 China College of Advanced Science and Technology Dalian University of Technology Dalian 116024 China Materials and Thermochemistry Laboratory Dalian Institute of Chemical Physics Dalian 1160237 China

The hydrogen storage behavior of the TiCr2 and ZrCr2 alloys substituted with the third components （Zr, V, Fe, Ni） have been studied using first-principles calculations. The change of the hydrogen absorption energies caused by metal doping is arising from the charge transfer among the doped alloys interior. Zr and V atoms devoted abundant electrons, leading to a great enhancement of the H absorption energy, while Fe and Ni atoms always accepted electrons, yielding a remarkable decrease of the H absorption energy. The hydrogen diffusion energy barrier is closely correlated with the geometry effect rather than the electronic structure.

关键词： alloy hydrogen storage doping first-principles

Early Stage Solvation of Protonated Methanol by Carbon Dioxide

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Chinese Journal of Chemical Physics 2015年第4期28卷 -页

作者： Zhi zhao Xiang-tao Kong Xin Lei Bing-bing Zhang ji-jun zhao Ling jiang Key Laboratory of Materials Modification by Laser Ion and Electron Beams Dalian University of Technology Ministry of Education Dalian 116024 ChinaState Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China State Key Laboratory of Molecular Reaction Dynamics Collaborative Innovation Center of Chemistry for Energy and Materials Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 ChinaState Key Laboratory of Fine Chemicals Dalian University of Technology Dalian 116024 China Key Laboratory of Materials Modification by Laser Ion and Electron Beams Dalian University of Technology Ministry of Education Dalian 116024 China

The solvation of protonated methanol by carbon dioxide has been studied via a cluster model. Quantum chemical calculations of the H+(CH3OH)(CO2)n (n=1–7) clusters indicate that the first solvation shell of the OH groups is completed at n=3 or 4. Besides hydrogen-bond interaction, the CCO2 ? OCO2intermolecular interaction is also responsible for the stabilization of the larger clusters. The transfer of the proton from methanol onto CO2 with the formation of the OCOH+ moiety might be unfavorable in the early stage of solvation process. Simulated IR spectra reveal that vibrational frequencies of free O–H stretching, hydrogen-bonded O–H stretching, and O–C–O stretching of CO2 unit afford the sensitive probe for exploring the solvation of protonated methanol by carbon dioxide. IR spectra for the H+(CH3OH)(CO2)n (n=1–7) clusters could be readily measured by the infrared photodissociation technique and thus provide useful information for the understanding of solvation processes.

关键词： Methanol Carbon dioxide Solvation Infrared photodissociation spectroscopy Quantum chemical calculation

A review of solute-point defect interactions in vanadium and its alloys: first-principles modeling and simulation

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Tungsten 2021年第1期3卷 38-57页

作者： Peng-Bo Zhang ji-jun zhao Ting-Ting Zou Rui-Huan Li Peng-Fei Zheng ji-Ming Chen School of Science Dalian Maritime UniversityDalian 116026China Key Laboratory of Materials Modification by Laser Ion and Electron Beams(Ministry of Education)Dalian University of TechnologyDalian 116024China Information Science and Technology College Dalian Maritime UniversityDalian 116026China Institute of Mold Technology Changzhou Vocational Institute of Mechatronic TechnologyChangzhou 213164China Southwestern Institute of Physics Chengdu 610041China

Vanadium alloys are the promising first wall and blanket materials for fusion *** amounts of helium(He)and hydrogen(H)impurities are produced inside the materials along with irradiation defects under neutron irradiation,leading to bubble formation and microstructure changes,which will degrade the thermal and mechanical properties of vanadium *** microstructure changes of materials are influenced by the interactions of point defects with solute ***,first-principles calculations are intensively performed to elucidate these interactions,clustering,and dissolution,which can provide valuable information for the design of high-performance anti-irradiation *** paper reviews the recent findings of the interactions of point defects(vacancies,self-interstitial atoms)with substitutional solutes and interstitial solutes(C,O,N,H,and He)as well as their clusters in vanadium and its alloys from first-principles calculations.

关键词： Solute atom Point defect Radiation damage H and He effect Vanadium alloys Density functional theory

Application of Geometric Midline Yield Criterion for Strip Drawing

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Journal of Iron and Steel Research International 2009年第6期16卷 13-16页

作者： WANG Gen-ji DU Hai-jun zhao De-wen LIU Xiang-hua WANG Guo-dong State Key Laboratory of Rolling and Automation Northeastern University Shenyang 110004 Liaoning China

A new linear yield criterion expressed by the geometric midline of error triangle between Tresca and Twin shear stress yield loci on the π-plane in Haigh-Westergaard space was introduced. The criterion was written in terms of the values of principal stress deviator and called GM yield criterion for short. Together with a Cartesian coordinate velocity field instead of the Avitzur＇s, the GM criterion was used to obtain an analytical solution for strip drawing. With a working example of the strip drawing through wedge-shaped die, the results of relative drawing stress calculated by the GM criterion were compared with those calculated by Mises＇ criterion from Avitzur formula. It indicated that the calculated results according to analytical solution were in good agreement with the numerical solution obtained from Avitzur formula.

关键词： GM yield criterion strip drawing analytical solution

Structures and growth behavior of gas-phase and metal-supported boron clusters

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Structures and growth behavior of gas-phase and metal-suppor...

Irradiation-induced void evolution in iron：A phase-field approach with atomistic derived parameters

第七届全国物理无机化学学术会议

作者： ji-jun zhao Key Laboratory of Materials Modification by Laser Ion and Electron Beams （Dalian University of Technology） Ministry of Education

＜正＞In the past decade,boron clusters and 2D monolayer sheets with novel structures have been focus of intensive studies due to their similarity with carbon fullerenes and *** evaluate the performance of the exchange-correlation functionals of DFT in the energetics of boron clusters using CCSD（T）and MP2results as benchmark[1].The PBE,TPSS,TPSSh,and PBE0 functionals are *** simulated

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来源： cnki会议评论

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Chinese Physics B 2017年第2期26卷 363-369页

作者： Yuan-Yuan Wang jian-Hua Ding Wen-Bo Liu Shao-Song Huang Xiao-Qin Ke Yun-Zhi Wang Chi Zhang ji-jun zhao Key Laboratory of Materials Modification by Laser Ion and Electron Beams (Ministry of Education) Dalian University of Technology Dalian 116024 China Department of Nuclear Science and Technology Xi' an Jiaotong University Xi' an 710049 China Center of Microstructure Science Multi-Disciplinary Materials Research Center Frontier Institute of Science and TechnologyState Key Laboratory for Mechanical Behavior of Materials Xi' an Jiaotong University Xi' an 710049 China Department of Materials Science and Engineering Ohio State University Columbus Ohio 43210 USA Key Laboratory of Advanced Materials of Ministry of Education School of Materials Science and Engineering Tsinghua University Beijing 100084 China

A series of material parameters are derived from atomistic simulations and implemented into a phase field（PF） model to simulate void evolution in body-centered cubic（bcc） iron subjected to different irradiation doses at different *** simulation results show good agreement with experimental observations — the porosity as a function of temperature varies in a bell-shaped manner and the void density monotonically decreases with increasing temperatures; both porosity and void density increase with increasing irradiation dose at the same temperature. Analysis reveals that the evolution of void number and size is determined by the interplay among the production, diffusion and recombination of vacancy and interstitial.

关键词： phase field method atomistic simulation void evolution irradiation

Investigation on correlation between expression of CD58 molecule and severity of hepatitis B

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World Journal of Gastroenterology 2006年第26期12卷 4237-4240页

作者： Li Sheng jie Li Bao-Tai Qi Yu-Qiang ji zhao-jun Meng Ming Xie Department of Pathogenic Microbiology and Immunology Medical School of Xi'an Jiaotong University Xi'an 710061 Shaanxi Province China

AIM： To investigate the correlation between expression of CD58 and severity of hepatitis B. METHODS： The level of soluble CD58 （sCD58） in serum of patients with hepatitis B was detected by enzymelinked immunosorbent assay. The level of expression of membrane CD58 molecule in PBMC was detected by direct immunofluorescence. The levels of serumal TBIL, DBIL, IBIL, ALT and AST were detected by the automated biochemistry analyzer as well. RESULTS： The levels of sCD58 in serum and membrane CD58 molecule in PBMC of patients with hepatitis B were significantly higher than that in normal controls （P 〈 0.05）. Level of CD58 was related to the levels of serumal TBIL, DBIL, IBIL, ALT and AST. CONCLUSION： The level of CD58 molecule （in both serum and PBMC form） of patients with hepatitis B is related to the degree of liver damage.

关键词： Hepatitis B, CD58 Liver damage

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超临界CO_2杀灭牛乳中细菌的研究

食品工业科技 2010年第9期31卷 118-121页

作者：李华冀照君内蒙古民族大学生命科学学院内蒙古通辽028000

主要研究超临界CO2对牛乳中细菌的杀菌效果。通过单因素实验来初探压力、杀菌时间和杀菌温度对杀菌率的影响,然后采用正交实验来确定最适的杀菌条件,并对杀菌后牛乳的部分营养成分进行了分析。研究结果表明,当压力为35MPa,杀菌时间为140... 详细信息

主要研究超临界CO2对牛乳中细菌的杀菌效果。通过单因素实验来初探压力、杀菌时间和杀菌温度对杀菌率的影响,然后采用正交实验来确定最适的杀菌条件,并对杀菌后牛乳的部分营养成分进行了分析。研究结果表明,当压力为35MPa,杀菌时间为140min,杀菌温度为45℃时,CO2气体对牛乳中细菌的杀菌率为99·8%,且牛乳的营养成分损失较小。实验表明,超临界CO可以有效地杀灭牛乳中的细菌,减小营养成分的损失。

关键词：超临界CO2 牛乳杀菌