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Super-exchange effect induced by early 3d metal doping on NiFe_(2)O_(4)(001)surface for oxygen evolution reaction

Journal of Energy Chemistry 2023年第3期78卷 21-29,I0002页

作者： Shuhao Wang Xinyan Liu Xiang Chen kamran dastafkan Zhong-Heng Fu Xin Tan Qiang Zhang Chuan Zhao School of Chemistry The University of New South WalesSydneyNSW 2052Australia Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 611731SichuanChina Integrated Materials Design Laboratory Department of Applied MathematicsResearch School of PhysicsThe Australian National UniversityCanberraACT 2601Australia

Understanding the intrinsic activity of oxygen evolution reaction(OER) is crucial for catalyst design.To date,different metal-doping strategies have been developed to achieve this,but the involving mechanisms remain unclear.Here,the electronic structure of the transition metal-doped NiFe_(2)O_(4)(001) surface is scrutinized for OER intrinsic activity using density functional theory calculations.Five 3d-orbital filling metals(Ti,V,Cr,Mn,and Co) are introduced as dopants onto A-and B-layers of the NiFe_(2)O_(4)(001) surface,and variation of oxidation states over Fe sites is observed on B-layer.Analyzing the magnetic moment and charge transfer of surface cation sites reveals that the variation of Fe oxidation states originates from the super-exchange effect and is influenced by the t2g-electron configuration of 3d metal dopants.This trend governs the generation of highly-active Fe3+sites on the B-layer,the adsorption strength of OER intermediates,i.e.,*O and*OH,and therefore the intrinsic activity.The finding of super-exchange mechanism induced by 3d early metal doping offers insights into electronic structure tailoring strategies for improving the intrinsic activity of OER electrocatalysts.

关键词： Oxygen evolution reaction NiFe spinel Oxidation states Super-exchange mechanism Density functional theory

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海胆状NiMoO_(4)纳米棒阵列作为高效双功能催化剂用于电催化及光伏驱动尿素电解

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Chinese Journal of Catalysis 2022年第5期43卷 1267-1276页

作者：陈晨欣何苏祺 kamran dastafkan 邹泽华汪庆祥赵川闽南师范大学化学与环境科学系现代分析科学与分离技术福建省重点实验室福建漳州363000 新南威尔士大学化学与材料学院制造未来研究所悉尼澳大利亚

氢能因具有储量丰富、零排放和可再生等优点,受到各国在能源布局过程中的广泛关注.制氢是氢能源开发和利用的重要环节,其中电解水制氢技术可通过低能耗水分解获得氢气,具有很高的社会效益和经济效益.在电解水过程中,由于受析氧反应(OER... 详细信息

氢能因具有储量丰富、零排放和可再生等优点,受到各国在能源布局过程中的广泛关注.制氢是氢能源开发和利用的重要环节,其中电解水制氢技术可通过低能耗水分解获得氢气,具有很高的社会效益和经济效益.在电解水过程中,由于受析氧反应(OER)的缓慢动力学过程限制,电解水制氢体系在碱性介质中的理论工作电压高达1.23 V,增加了制氢能耗.在使用电化学催化剂的同时采用具有低热力学电势(0.37 V)的尿素氧化反应(UOR)代替OER,可降低制氢过程的能耗.本文采用水热反应结合煅烧反应在泡沫镍上生长了海胆状NiMoO_(4)纳米棒阵列,并将其作为双功能电催化剂,用于阴极析氢和阳极尿素氧化反应.结果表明,200℃煅烧产物(NiMoO_(4)-200/NF)表现出高效的析氢反应(HER)性能,在1.0 mol/L KOH中电流密度为10 mA cm^(-2)时的过电位仅为68 mV.而300℃煅烧产物(NiMoO_(4)-300/NF)表现出优异的析氧反应和尿素氧化反应活性.为了探究NiMoO_(4)纳米棒阵列在不同反应中催化性能差异的原因,通过各种表征手段对催化剂进行了结构及组成的表征.X射线衍射与高分辨透射电镜结果表明,200和300℃下的煅烧产物由NiMoO_(4)与NiMoO_(4)·xH_(2)O组成,而煅烧温度变化引起的电催化活性和选择性的差异则归因于产物不同的晶格氧含量.X射线光电子能谱结果表明,NiMoO_(4)-300/NF比NiMoO_(4)-200/NF含有更多的晶格氧;而对于高价态金属氧化物而言,催化剂中的晶格氧在电氧化过程中可以被激活并直接参与到阳极氧化反应过程,从而有利于析氧反应和尿素氧化反应的进行.另外,以NiMoO_(4)-300/NF和NiMoO_(4)-200/NF作为阳极和阴极组装尿素电解槽,可在1.38 V的电池电压下提供10 mA cm^(–2)的电流密度.将电极与商品太阳能板连接,NiMoO_(4)纳米棒阵列双电极可成功实现光电压驱动的尿素电解和制氢,表明其在太阳能驱动的能量转换方面具有巨大潜力.

关键词： NiMoO_(4)纳米棒双功能电催化剂尿素氧化光驱动晶格氧海胆状

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Recent advances in spinel-type electrocatalysts for bifunctional oxygen reduction and oxygen evolution reactions

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Journal of Energy Chemistry 2021年第2期30卷 290-302,I0010页

作者： Xiao-Meng Liu Xiaoyang Cui kamran dastafkan Hao-Fan Wang Cheng Tang Chuan Zhao Aibing Chen Chuanxin He Minghan Han Qiang Zhang Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China School of Chemistry The University of New South WalesSydneyNSW 2052Australia AIST-Kyoto University Chemical Energy Materials Open Innovation Laboratory(ChEM-OIL) National Institute of Advanced Industrial Science and Technology(AIST)YoshidaSakyo-kuKyoto 606-8501Japan School of Chemical Engineering and Advanced Materials The University of AdelaideAdelaideSA 5005Australia College of Chemical and Pharmaceutical Engineering Hebei University of Science and TechnologyShijiazhuang 050018HebeiChina Shenzhen Key Laboratory of Functional Polymer College of Chemistry and Chemical EngineeringShenzhen UniversityShenzhen 518061GuangdongChina

The demand for efficient and environmentally-benign electrocatalysts that help availably harness the renewable energy resources is growing rapidly. In recent years, increasing insights into the design of water electrolysers, fuel cells, and metal–air batteries emerge in response to the need for developing sustainable energy carriers, in which the oxygen evolution reaction and the oxygen reduction reaction play key roles. However, both reactions suffer from sluggish kinetics that restricts the reactivity. Therefore, it is vital to probe into the structure of the catalysts to exploit high-performance bifunctional oxygen electrocatalysts. Spinel-type catalysts are a class of materials with advantages of versatility, low toxicity, low expense, high abundance, flexible ion arrangement, and multivalence structure. In this review, we afford a basic overview of spinel-type materials and then introduce the relevant theoretical principles for electrocatalytic activity, following that we shed light on the structure–property relationship strategies for spinel-type catalysts including electronic structure, microstructure, phase and composition regulation,and coupling with electrically conductive supports. We elaborate the relationship between structure and property, in order to provide some insights into the design of spinel-type bifunctional oxygen electrocatalysts.

关键词： Spinel electrocatalyst Bifunctional energy electrocatalysis Oxygen evolution reaction Oxygen reduction reaction Structure–property relationship

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Common Pitfalls of Reporting Electrocatalysts for Water Splitting

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Chemical Research in Chinese Universities 2020年第3期36卷 360-365页

作者： WANG Yuan ARANDIYAN Hamidreza dastafkan kamran LI Yibing ZHAO Chuan School of Chemistty Faculty of ScienceThe University of New South WalesSydneyNew South Wales 2052Australia Laboratory of Advanced Catalysis for Sustainability School of ChemistryThe University of SydneySydney 2006Australia

Rigorous assessment of heterogeneous electrocatalysts for electrochemical water splitting has been a critical issue mainly due to insufficient standard protocols to measure and report experimental data.In this perspective,we highlight some common pitfalls when measuring and reporting electrocatalytic data,which should be avoided to ensure the accuracy and reproducibility and to advance the water splitting field.We advocate to prevent the introduction of artefacts from the counter and reference electrodes,as well as the impurities in the electrolyte when conducting electrocatalyst activity measurements.In addition,we encourage the use of the electrochemically active surface area(ECSA)-normalized current densities to represent the intrinsic activity of the reported catalysts for a better comparison with previously known materials.Suitable ECSA measurement methods should be employed based on the nature of catalysts.Recommendations made in this perspective will hopefully assist in identifying advanced catalysts for water splitting research.

关键词： Electrocatalyst Water splitting Electrochemical active surface area Benchmarking catalyst Energy conversion and storage

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Leveraging machine learning for early recurrence prediction in hepatocellular carcinoma:A step towards precision medicine

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World Journal of Gastroenterology 2024年第5期30卷 424-428页

作者： Abhimati Ravikulan kamran Rostami epartment of Gastroenterology Palmerston North HospitalPalmerston North 4442New Zealand

The high rate of early recurrence in hepatocellular carcinoma(HCC)post curative surgical intervention poses a substantial clinical hurdle,impacting patient outcomes and complicating postoperative management.The advent of machine learning provides a unique opportunity to harness vast datasets,identifying subtle patterns and factors that elude conventional prognostic methods.Machine learning models,equipped with the ability to analyse intricate relationships within datasets,have shown promise in predicting outcomes in various medical disciplines.In the context of HCC,the application of machine learning to predict early recurrence holds potential for personalized postoperative care strategies.This editorial comments on the study carried out exploring the merits and efficacy of random survival forests(RSF)in identifying significant risk factors for recurrence,stratifying patients at low and high risk of HCC recurrence and comparing this to traditional COX proportional hazard models(CPH).In doing so,the study demonstrated that the RSF models are superior to traditional CPH models in predicting recurrence of HCC and represent a giant leap towards precision medicine.

关键词： Machine learning Artificial intelligence Hepatocellular carcinoma Hepatology Early recurrence Liver resection

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A Framework to Assess Possible Sources of Stakeholder Exploitation:A Developing Country Case

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International Journal of Disaster Risk Science 2024年第1期15卷 32-44页

作者： kamran Shafique Syed Shams Tapan Sarker School of Business University of Southern QueenslandSpringfeldQLD 4300Australia Business School University of QueenslandSt LuciaQLD 4072Australia

Solving complex post-disaster reconstruction challenges requires the altruistic involvement of heterogeneous stakeholder groups.However,small,more organized groups,such as government parastatals,private developers,and contractors often exploit large,unorganized groups,such as affected communities,leaving them more vulnerable to future disasters.Based on data collected from a case study in Pakistan,this study proposed a framework to assess,anticipate,and mitigate the exploitation of vulnerable stakeholders in post-disaster reconstruction projects.The framework draws on influential management theories and utilizes reciprocal relationships between stakeholder attributes(power,legitimacy,and urgency),participation,and exploitation.The study also argued for non-binary treatment of stakeholder attributes.The framework will allow practitioners to address issues around the exploitation of stakeholder interests in future post-disaster reconstruction projects.

关键词： Collective action Pakistan Post-disaster reconstruction-Stakeholder participation Stakeholder exploitation

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Experimental investigation into effects of the natural polymer and nanoclay particles on the EOR performance of chemical flooding in carbonate reservoirs

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Petroleum Science 2024年第2期21卷 951-961页

作者： Amir Mohammad Zamani Ashkan Moslemi kamran Hassani Department of Petroleum Engineering Islamic Azad University Science and Research BranchTehranIran Institute of Petroleum Engineering University of TehranTehranIran

This paper aims to investigate the tragacanth gum potential as a natural polymer combined with natural clay mineral(montmorillonite,kaolinite,and illite)nanoparticles(NPs)to form NP-polymer suspension for enhanced oil recovery(EOR)in carbonate reservoirs.Thermal gravimetric analysis(TGA)tests were conducted initially in order to evaluate the properties of tragacanth gum.Subsequently,scanning electron microscopy(SEM)and energy-dispersive X-ray(EDX)tests were used to detect the structure of clay particles.In various scenarios,the effects of natural NPs and polymer on the wettability alteration,interfacial tension(IFT)reduction,viscosity improvement,and oil recovery were investigated through contact angle system,ring method,Anton Paar viscometer,and core flooding tests,respectively.The entire experiment was conducted at 25,50,and 75℃,respectively.According to the experimental results,the clay minerals alone did not have a significant effect on viscosity,but the addition of minerals to the polymer solution leads to the viscosity enhancement remarkably,resulting mobility ratio improvement.Among clay NPs,the combination of natural polymer and kaolinite results in increased viscosity at all temperatures.Considerable wettability alteration was also observed in the case of natural polymer and illite NPs.Illite in combination with natural polymer showed an ability in reducing IFT.Finally,the results of displacement experiments revealed that the combination of natural polymer and kaolinite could be the best option for EOR due to its substantial ability to improve the recovery factor.

关键词： Chemical flooding Tragacanth gum Clay nanoparticle Wettability IFT

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Hepatocellular carcinoma presenting as an extrahepatic mass:A case report and review of literature

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World Journal of Gastrointestinal Oncology 2024年第5期16卷 2241-2252页

作者： Wei Kelly Wu Krutika Patel Chandrasekhar Padmanabhan kamran Idrees Department of Surgery Vanderbilt University Medical CenterNashvilleTN 37232United States Department of Pathology Microbiology and ImmunologyVanderbilt University Medical CenterNashvilleTN 37232United States Division of Surgical Oncology and Endocrine Surgery Department of SurgeryVanderbilt University Medical CenterNashvilleTN 37232United States

BACKGROUND Hepatocellular carcinoma(HCC)is a primary liver tumor generally diagnosed based on radiographic findings.Metastatic disease is typically associated with increased tumor diameter,multifocality,and vascular invasion.We report a case of a patient who presented with extrahepatic HCC metastasis to a portocaval lymph node with occult hepatic primary on computed tomography(CT).We review the literature for cases of extrahepatic HCC presentation without known hepatic lesions and discuss strategies to differentiate between metastatic and ectopic HCC.CASE SUMMARY A 67-year-old male with remotely treated hepatis C was referred for evaluation of an enlarging portocaval,mixed cystic-solid mass.Serial CT evaluations demonstrated steatosis,but no cirrhosis or liver lesions.Endoscopic ultrasound demonstrated a normal-appearing pancreas,biliary tree,and liver.Fine needle aspiration yielded atypical cells.The differential diagnosis included duodenal or pancreatic cyst,lymphoproliferative cyst,stromal or mesenchymal lesions,nodal involvement from gastrointestinal or hematologic malignancy,or duodenal gastrointestinal stromal tumor.After review by a multidisciplinary tumor board,the patient underwent open surgical resection of a 5.2 cm×5.5 cm retroperitoneal mass with pathology consistent with moderately-differentiated HCC.Magnetic resonance imaging(MRI)subsequently demonstrated a 1.2 cm segment VIII hepatic lesion with late arterial enhancement,fatty sparing,and intrinsic T1 hyperintensity.Alpha fetoprotein was 23.3 ng/mL.The patient was diagnosed with HCC with portocaval nodal involvement.Review:We surveyed the literature for HCC presenting as extrahepatic masses without history of concurrent or prior intrahepatic HCC.We identified 18 cases of extrahepatic HCC ultimately found to represent metastatic lesions,and 30 cases of extrahepatic HCC found to be primary,ectopic HCC.CONCLUSION Hepatocellular carcinoma can seldomly present with extrahepatic metastasis in the setting of occult primary.In patients with risk factors fo

关键词： Extrahepatic Metastasis Portocaval Lymph node Case report

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Facile synthesis of samarium and cerium doped double perovskite cobaltite with enhanced dielectric response

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Journal of Rare Earths 2024年第7期42卷 1317-1327页

作者： Yasir Abbas M.kamran M.Anis-ur-Rehman Applied Thermal Physics Laboratory Department of PhysicsCOMSATS University Islamabad

The investigation of Sm-Ce doping on structure,conduction,and dielectric response of Bi2Ca2-2xSmxCexCoO6（x=0.000,0.025,0.050,0.075）(BCSCCO) are presented.All the specimens were synthesized by a facile synthesis technique named the co-precipitation route.X-ray diffraction（XRD）reveals that BCSCCO crystallizes into one phase with space group P21/m.The crystallite size,dislocation density,lattice parameters,lattice strain,unit cell volume,and bulk density were determined using XRD data.The structural properties of Bi2Ca2CoO6were examined using calculations based on the density functional theory.Theoretical and experimental values discrepancy is less than 1%.A scanning electron microscope was used for performing a micro structural analysis.The SEM images demonstrate the homogeneous distribution of grains with a range of sizes（0.054-0.090 μm）.The alternating current（ac）conductivity, dielectric permittivity,and tangent loss were also studied as a function of frequency（20 Hz-3 MHz） at different temperatures（100-500℃）.All synthesized samples were examined using nonlinear Debye's function to determine their spreading factor and relaxation time.The specimen with the lowest crystallite size（～23 nm） exhibits a high dielectric permittivity（～3.80×10～6）.The conduction mechanism was examined in the studied samples with the use of Jonscher's power law.The power law indicates that the BCSCCO（x=0.000,0.025） follows correlated barrier hopping,whereas the x=0.050and 0.075 compositions follow non-overlapping polaron tunneling.The studied specimen Bi2Ca1.90Sm0.050Ce0.050CoO6with the highest density（～5.65 g/cm3） displays a high electrical conductivity（-46.1 S/cm）.These findings correspond to those published for ceramics made from calcium cobaltite using solid-state reactions（5.0-26.0 S/cm）.

关键词： Bismuth calcium samarium cerium cobaltite (BCSCCO) Conduction mechanism Rare earths Spreading factor

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The Combination of Achnatherum inebrians Extracts and Soil Microorganisms Inhibited Seed Germination and Seedling Growth in Elymus nutans

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Phyton-International Journal of Experimental Botany 2024年第3期93卷 567-580页

作者： Rui Zhang Taixiang Chen Zhenjiang Chen Hao Chen Xuekai Wei Malik kamran Chunjie Li State Key Laboratory of Herbage Improvement and Grassland Agro-Ecosystems Key Laboratory of Animal Husbandry InnovationMinistry of Agriculture and Rural AffairsEngineering Research Center of Grassland AgricultureMinistry of EducationWest Gansu Province Prataculture Technology Innovation CenterCollege of Pastoral Agriculture Science and TechnologyLanzhou UniversityLanzhou730020China Center for Grassland Research National Forestry and Grassland AdministrationCaFBeijing100091China

In a greenhouse experiment,the effects of soil microorganisms and extracts of Achnatherum inebrians on the seed germination and seedling growth of Elymus nutans were studied.The results showed that both the extracts from aboveground and belowground parts of A.inebrians signiﬁcantly inhibited the germination rate,germination potential,germination index,vigor index,seedling height,root length,and fresh weight of E.nutans,but increased malondialdehyde content,catalase,peroxidase and superoxide dismutase activity of E.nutans seedlings(p<0.05).The allelopathy of aqueous extracts of the aboveground parts of A.inebrians was stronger than that of the pre-cipitates.Aqueous extracts of the aboveground parts of A.inebrians decreased seed germination rate,germination potential,germination index,vigor index,seedling length,root length,and seedling fresh weight by 10.45%-74.63%,24.18%-32.50%,19.03%-73.36%,37.83%-88.41%,21.42%-53.14%,2.65%-40.21%,and 20.45%-61.36%,respectively,and malondialdehyde content,peroxidase,catalase,and superoxide dismutase activity increased by 8.09%-62.24%,27.83%-86.47%,22.90%-93.17%,and 11.15%-75.91%,respectively.The above indexes were higher in live soil than in sterilized soil.Soil microorganisms increased the allelopathy of A.inebrians.The seed germination rate,germination potential,germination index,vigor index,seedling length,and seedling fresh weight of E.nutans planted in live soil decreased by 8.22%-48.48%,10.00%-51.85%,8.19%-53.26%,16.43%-60.03%,12.91%-28.81%,and 9.09%-22.86%compared with sterilized soil,respectively.Malondialdehyde content,peroxidase,catalase,and superoxide dismutase activity of E.nutans planted in live soil increased by 53.91%-81.06%,15.71%-57.34%,33.33%-86.31%,and 9.78%-52.51%compared with sterilized soil,respectively.The existence of soil microorganisms enhanced the allelopathy of the secondary metabolites of A.inebrians.A combination of microorganisms and aqueous extracts from the aboveground parts of A.inebrians had the strongest allelopathic effect on E.nutans.

关键词： Achnatherum inebrians water immersion liquid aqueous leachate precipitate allelopathy Elymus nutans soil microorganisms

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