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Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide

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Chinese Physics B 2021年第2期30卷 449-456页

作者： Tao huang yuan Si Hong-yu Wu Li-Xin Xia yu Lan Wei-Qing huang wang-yu hu Gui-Fang huang Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410082China Department of Physics Kashgar UniversityKashgar 844006China College of Physics and Electronic Engineering Hengyang Normal UniversityHengyang 421002China School of Materials Science and Engineering Hunan UniversityChangsha 410082China

Hydrogen,regarded as a promising energy carrier to alleviate the current energy crisis,can be generated from hydrogen evolution reaction(HER),whereas its efficiency is impeded by the activity of ***,effective strategies,such as strain and interfacial engineering,are imposed to tune the catalysis performance of novel two-dimensional(2D)phosphorus carbide(PC)layers using first-principle *** findings show that P site in pristine monolayer PC(ML-PC)exhibits higher HER performance than C ***,constructing bilayer PC sheet(BL-PC)can change the coordinate configuration of P atom to form 3-coordination-P atom(3-co-P)and 4-coordination-P atom(4-co-P),and the original activity of 3-co-P site is higher than the 4-co-P *** an external compressive strain is applied,the activity of the 4-co-P site is enhanced whereas the external strain can barely affect that of 3-co-P ***,the graphene substrate enhances the overall activity of the BL-PC because the graphene substrate optimizes the?GH*value of 4-co-P site,although it can barely affect the HER activity of 3-co-P site and *** desirable properties render 2 D PC-based material promising candidates for HER catalysts and shed light on the wide utilization in electrocatalysis.

关键词： phosphorus carbide hydrogen evolution reaction(HER) coordination configuration electrocatalysis first principle calculations

MD and OKMC simulations of the displacement cascades in nickel

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Nuclear Science and Techniques 2016年第3期27卷 53-57页

作者： Wen-Jing Xiao Gui-Yan Wu Mei-Heng Li hui-Qiu Deng Wei Zhang Ping huai wang-yu hu Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410012China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China

The molecular dynamics(MD) method was used to investigate the displacement cascades with primary knock-on atom(PKA) energies of 2-40 keV at 100 and600 *** migration energy of defects and their clusters was calculated by nudged elastic band(NEB) *** kinetic Monte Carlo(OKMC) was used to simulate the evolution of defects in Ni under *** each annealing stage,the recombination mechanism was discussed and evolution of the defects under different cascade conditions was *** was found that the defects generated in high-temperature cascades are more stable than those in the low-temperature *** addition,almost all the defects are annihilated during annealing process at low PKA *** PKA energy of 20-40 keV,however,a large number of defects would remain after annealing.

关键词： kmc模拟子位移级联 MD 缺陷演化分子动力学退火过程重组机制

Evaluation of tungsten interatomic potentials for radiation damage simulations

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Tungsten 2020年第1期2卷 3-14页

作者： Li‑Xia Liu Xiao‑Chun Li Yang‑Chun Chen wang‑yu hu Guang‑Nan Luo Fei Gao hui‑Qiu Deng College of Materials Science and Engineering Hunan UniversityChangsha 410082China Institute of Plasma Physics Chinese Academy of SciencesHefei 230031China School of Physics and Electronics Hunan UniversityChangsha 410082China Department of Nuclear Engineering and Radiological Sciences University of MichiganAnn ArborMI 48109USA

The structure and properties of materials under neutron irradiation are an important basis in future fusion *** the absence of fusion neutron sources for irradiation experiments,it is increasingly important and urgent to carry out neutron irradiation simulations on fusion reactor materials and then establish complete databases of defect properties and collisional cascades,where the first and foremost step is to select suitable interatomic potentials for atomistic-level *** this work,six typic interatomic potentials for tungsten(W)are evaluated and reviewed systematically for radiation damage *** relative lattice stability and elastic constants of bulk W are considered first with those potentials;then,the properties of point defects and defect clusters at interstitial sites and vacancies are obtained by molecular statics/dynam-ics *** formation energies of interstitial/vacancy clusters,1/2anddislocation loops in W and the threshold displacement energies along different directions are also *** addition,the extended defects are further investigated,such as free surfaces and the energy profiles of 1/2{110}and 1/2{112}stacking *** current results provide a reference for selecting W potentials to simulate the radiation damage.

关键词： Interatomic potential Tungsten Radiation defect Molecular dynamics

Study on Active Oxygen Quantum Yield,Insecticidal Activities and Stability of Diphenylthiophene

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Agricultural Sciences in China 2007年第4期6卷 458-465页

作者： CHEN Xiao-jun XU Han-hong wang yu-jian hu Shan ZHANG Zhi-xiang ZHANG Yao-mou Key Laboratory of Pesticide and Chemical Biology Ministry of Education/Laboratory of Insect Toxicology South China Agricultural University Guangzhou 510642 P.R.China

Active oxygen quantum yield, insecticidal activities and stability of diphenylthiophene were studied for the first time. The results showed that maximum diphenylthiophene absorbency variety was 0.438 after irradiation for 280 min and that of α- terthienyl （α-T） was 0.480 after irradiation for 200 min with UV. LCs0 values ofdiphenylthiophene and α-T against 3rd instar larvae ofAedes albopictus were 9.18 × 10^-3 and 9.69× 10^-4 μg mL^-1 when treated for 24 h, respectively. LC50 values of the two chemicals against the 3rd instar larvae of Plutella xylostella were 267.87 and 222.22 μg mL^-1 when treated for 24 h, respectively. The half lives of diphenylthiophene and α-T in methanol were 113.62 and 10.65 h. Difference between quantum yield of diphenylthiophene and α-T was not significant and they all possessed high toxicity to Aedes albopictus and Plutella xylostella, but diphenylthiophene was more stable than α-T. It could be concluded that diphenylthiophene has overcome the deficiency of photoactivated insecticides which degraded quickly in the environment and could not be applied on the field. Diphenylthiophene could kill the insects and accelerate the degradation rate of triazophos. The benefits of diphenylthiophene can be further exploited and applied on the field.

关键词： diphenylthiophene insecticidal activities photocatalysis degradation

SOLID-LIQUID PHASE TRANSFER AND COBALT OR PALLADIUM COMPLEX CATALYZED SYNTHESIS OF ANHYDRIDES FROM ACYL CHLORIDES

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Chinese Chemical Letters 1991年第4期2卷 339-342页

作者： Jin Xian wang(Chin Hsien wang) yu Lai hu Wen Feng CUI Institute of Chemistry,Department of Chemistry,Northwest Normal University,Lanzhou 730070

Acyl chloride can efficiently be converted into anhydride under solid liquid phase transfer catalysis by using bis(triphenylphosphine)cobalt dichloride or bis(triphenylphospine)palladium dichloride as the catalyst.

关键词： In wang SOLID-LIQUID PHASE TRANSFER AND COBALT OR PALLADIUM COMPLEX CATALYZED SYNTHESIS OF ANHYDRIDES FROM ACYL CHLORIDES

Combined trabeculectomy and vitrectomy for intractable glaucoma with severe ocular contusion involving the posterior segment

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Chinese Medical Journal 2011年第15期124卷 2316-2320页

作者： wang Xiao-yu hu Rong-rong SHEN Li-ping LU Hong GU Yang-shun Department of Ophthalmology the First Affiliated Hospital of College of Medicine Zhejiang University Hangzhou Zhejiang 310003 China

Background Intractable secondary glaucoma with severe ocular contusion involving the posterior segment is difficult to treat. In this study, we evaluated the safety and efficacy of combined trabeculectomy and vitrectomy for intractable glaucoma with severe ocular contusion involving the posterior segment. Methods This retrospective interventional study enrolled 18 eyes from 18 consecutive cases with uncontrolled intraocular pressure, angle recession exceeding 180°, dense vitreous hemorrhage, and/or limited retinal detachment after severe ocular contusion. Combined trabeculectomy and vitrectomy was performed after giving the patient sufficient anti-inflammatory and intraocular pressure （IOP）-Iowering medication. Follow-up averaged 26.2 （range, 6.0-48.0） months. Results The mean lOP decreased from （36.4±10.0） mmHg on maximum lOP-lowering medications to （14.6±4.4） mmHg on （0.7±1.2） topical medications at the final follow-up （P 〈0.0001）. During the first postoperative month, four eyes （22%） had a short hypertensive phase and six eyes （33%） had early hypotony, including one case （5.6%） of bleb leakage Seven eyes （39%） developed recurrent hypertension 3-6 months postoperatively, five of which were controlled by topical medications. Ten （55.6%） eyes were classified as a complete success, five （27.8%） as a qualified success, and three eyes （16.7%） as failures. Kaplan-Meier survival analysis for complete and cumulative success showed 53.5% and 80.0% survival at 48 months, respectively. Visual acuity was improved in 15 eyes （83.3%）. Three eyes （16.7%） had unchanged visual acuity, one （5.6%） of which developed atrophia bulbi despite a normal intraocular pressure. No recurrent retinal detachment or vitreous hemorrhage developed. Conclusion Combined trabeculectomy and vitrectomy is a viable surgical procedure for the management of intractable glaucoma with severe ocular contusion involving the posterior segment in selected cases.

关键词： trabeculectomy vitrectomy glaucoma ocular trauma

Effect of Nb-V microalloying on the hot deformation behavior of medium Mn steels

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 360-368页

作者： yumeng wang Qinyi Guo Bin hu Haiwen Luo School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

The influence of Nb-V microalloying on the hot deformation behavior and microstructures of medium Mn steel(MMS)was investigated by uniaxial hot compression *** establishing the constitutive equations for simulating the measured flow curves,we successfully constructed deformation activation energy(Q)maps and processing maps for identifying the region of flow *** concluded the following consequences of Nb-V alloying for MMS.(i)The critical strain increases and the increment diminishes with the increasing deformation temperature,suggesting that NbC precipitates more efficiently retard dynamic recrystallization(DRX)in MMS compared with solute Nb.(ii)The deformation activation energy of MMS is significantly increased and even higher than that of some reported high Mn steels,suggesting that its ability to retard DRX is greater than that of the high Mn content.(iii)The hot workability of MMS is improved by narrowing the hot processing window for the unstable flow stress,in which fine recrystallized and coarse unrecrystallized grains are present.

关键词： medium manganese steel niobium-vanadium microalloying flow behavior dynamic recrystallization hot workability

Co/Co_(7)Fe_(3)heterostructures with controllable alloying degree on carbon spheres as bifunctional electrocatalyst forrechargeable zinc-air batteries

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 476-487页

作者： Junkang Chen Yongyue Zhuang Yanxin Qiao yu Zhang Aihua yuan hu Zhou School of Materials Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China

Exploring efficient and nonprecious metal electrocatalysts of oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)is crucial for developing rechargeable zinc-air batteries(ZABs).Herein,an alloying-degree control strategy was employed to fabricate nitrogen-doped carbon sphere(NCS)decorated with dual-phase Co/Co_(7)Fe_(3)heterojunctions(CoFe@NCS).The phase composition of materials has been adjusted by controlling the alloying *** optimal CoFe_(0.08)@NCS electrocatalyst displays a half-wave potential of 0.80 V for ORR and an overpotential of 283 mV at 10 mA·cm^(-2)for OER in an alkaline *** intriguing bifunctional electrocatalytic activity and durability is attributed to the hierarchically porous structure and interfacial electron coupling of highly-active Co_(7)Fe_(3)alloy and metallic Co *** the CoFe_(0.08)@NCS material is used as air-cathode catalyst of rechargeable liquid-state zinc-air battery(ZAB),the device shows a high peak power-density(157 mW·cm^(-2))and maintains a stable voltage gap over 150 h,outperforming those of the benchmark(Pt/C+RuO_(2))-based *** particular,the as-fabricated solid-state flexible ZAB delivers a reliable compatibility under different bending *** work provides a promising strategy to develop metal/alloy-based electrocatalysts for the application in renewable energy conversion technologies.

关键词： bifunctional electrocatalysts oxygen reduction reaction oxygen evolution reaction zinc-air battery metal/alloy carbon sphere

英国大学生资助政策效果研究:焦点、问题与启示

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复旦教育论坛 2017年第4期15卷 92-99页

作者：王玉蕾胡娟中国人民大学教育学院北京100872 河北大学管理学院河北保定071002

从20世纪90年代至今,英国大学生资助政策不断变革。免偿还性资助项目主要包括助学金、补助金和奖学金等,关于其政策效果的研究集中在四个方面:资助政策对扩大参与和机会公平的影响;资助政策对学生入学选择的影响;资助政策对学生学业成... 详细信息

从20世纪90年代至今,英国大学生资助政策不断变革。免偿还性资助项目主要包括助学金、补助金和奖学金等,关于其政策效果的研究集中在四个方面:资助政策对扩大参与和机会公平的影响;资助政策对学生入学选择的影响;资助政策对学生学业成就的影响;资助政策改革的分配效应。对相关文献进行梳理分析可以发现,资助模式未考虑高校层次和学生构成,缺乏全国性的资助体系及政策调整过于频繁成为阻碍资助政策效果发挥的主要问题。本文对英国社会关于大学生资助政策效果的讨论焦点进行了总结,并就相关问题进行了讨论,以期对我国大学生资助政策改革起到一定的启示作用。

关键词：英国大学生资助政策政策效果