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Adsorption of CO, CO<SUB&g.;2</SUB&g.;, NO and NO<SUB&g.;2</SUB&g.;on Boron Nitride Nanotubes: DFT Study

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Journal of Surface Eng.neered Materials and Advanced Tech.olog. 2015年第3期5卷 154-161页

作者： A. A. El-Barbary Kh. M. Eid M. A. Kamel h. O. Tah. g. h. ismail Ph.sics Department Faculty of Education Ain Shams University Cairo Egypt Ph.sics Department Faculty of Science Jazan University Jazan KSA Bukairiayh.for Science Qassim University Qassim KSA

Th. adsorption of CO, CO2, NO and CO2 g.s molecules on different ch.ralities of sing.e boron nitride nanotubes (BNNTs) is investig.ted, applying.th. density functional th.ory and using.basis set 6 - 31 g.(d,p). Th. energ.tic, electronic properties and surface reactivity h.ve been discussed. We found th.t th. best BNNT for adsorbing.th. CO, CO2, NO and NO2 g.s molecules is (5,0) BNNT with.adsorption energ. of -0.27, -0.37 eV, -0.23 and -0.92 eV, respectively. Also, th. electronic ch.racter of (5,0), (9,0), (5,5) and (6,6) BNNTs is found to be not affected by th. adsorption of CO, CO2, NO and NO2 g.s molecules. It is found th.t th. dipole moments of zig.zag.(5,0) and (9,0) BNNTs are always h.g.er th.n th. arm-ch.ir (5,5) and (6,6) BNNTs. Also, it is noticed th.t th. h.g.est dipole moment is for (9,0) BNNT.

关键词： BN Nanotubes DFT g.s Sensors

Adsorption of CO, CO<SUB&g.;2</SUB&g.;, NO and NO<SUB&g.;2</SUB&g.;on Carbon Boron Nitride h.tero Junction: DFT Study

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Journal of Surface Eng.neered Materials and Advanced Tech.olog. 2015年第4期5卷 169-176页

Th. adsorption of CO, CO2, NO and CO2 g.s molecules on different diameters and ch.ralities of carbon nanotube-boron nitride nanotube (CNT-BNNT) h.terojunctions is investig.ted, applying.th. density functional th.ory and using.basis set 6 - 31 g.(d,p). Th. energ.tic, electronic properties and surface reactivity h.ve been discussed. We found th.t th. best CNT-BNNT h.terojunctions for adsorbing.th. CO, NO, CO2 and NO2 g.s molecules is (5,0) CNT-BNNT h.terojunction th.oug. forming.C-N bonds with.adsorption energ. of -0.26, -0.41 eV, -0.33 and -0.63 eV, respectively. Also, th. adsorption of CO, NO, CO2 and NO2 g.s molecules on (5,5) and (6,6) CNT-BNNT h.terojunctions does not affect th. electronic ch.racter of th. CNT-BNNT h.terojunctions, h.wever th. adsorption of NO and NO2 g.s molecules on (5,0) and (9,0)CNT-BNNT h.terojunctions in case of forming.C-B bonds increases th. band g.ps to 1.21 eV and 1.52 eV, respectively. In addition, it is reported th.t th. values of dipole moment for armch.ir (5,5) and (6,6) CNT-BNNT h.terojunctions are not affected by g.s adsorption. Also, for th. zig.zag.(5,0) and (9,0) CNT-BNNT h.terojunctions, th. values of dipole moment increase th.oug. forming.C-N bonds and decrease th.oug. forming.C-B bonds. In addition, it is reported th.t th. h.g.est dipole moment is obtained for (9,0) CNT-BNNT h.terojunctions. Th.refore, th. zig.zag.CNT-BNNT h.terojunctions can be selected as g.od candidate for g.s sensors.

关键词： CNT-BNNT h.terojunctions DFT g.s Sensors

Optimized system for combined production of electricity/g.een h.drog.n for multiple energ. path.ays:a case study of Eg.pt

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Clean Energ. 2024年第4期8卷 219-236页

作者： Reda Rag.b Moh.med h.mdih.fez A.El Salmawy Moh.med A.ismail Mech.nical Power Eng.neering.Department Zagazig UniversityZagazig 44519Egypt Mech.nical Eng.neering.Department College of EngineeringKing Faisal UniversityAl-Ahsa 31982Saudi Arabia

By optimal sizing.of a wind/ph.tovoltaic h.brid renewable-energ.(RE)system,trimming.th. surplus capacity to reduce th. fluctuations in th. electricity supplied to th. g.id,and using.it to produce g.een h.drog.n th.oug. electrolysis,a stable output with.maximum possible capacity factor(CF)is g.nerated to maintain th. electricity g.id ***,th. trimmed energ. is used in a secondary conversion path.th.t minimizes th. weig.ted averag. cost of th. energ. g.nerated from th. entire *** surplus power-to-g.s conversion allows th. use of g.een h.drog.n to produce electricity,meth.nol,or ammonia subject to th. resource availability,site ch.racteristics,and financial *** on robust site selection criteria,th. best performance is obtained at two sites:Ras g.areb and Minya,ach.eving.th. lowest energ. cost with.some variance in th.ir *** th. Ras g.areb site,th. optimally sized RE plant provided th. g.id with.a quasi-steady capacity of 423 MW with.a CF of 80.04%and was capable of injecting.2965.8648 g.h.th.oug.out th. year with.th. lowest cost of 2.4355¢/kWh.A surplus of 3.9%of th. total energ. produced from th. plant was directed to produce 1922-ton h.(2)/year,ach.eving.th. lowest cost of h.drog.n production of$1.9745/kg.h.(2).For th. oth.r selected site,Minya,th. clipped energ. is used to produce 3330.47-ton h.(2)/year with.an optimized lowest cost of$3.5268/kg.h.(2).Th. difference in h.drog.n costs was attributed to th. number of full operating.h.urs of th. electrolyser in both.*** cost is mainly affected by th. electricity price and th. electrolyser *** both.tending.to decrease,future forecasts sh.w h.drog.n cost reductions.

关键词： h.brid renewable-energ. system(h.ES) g.een h.drog.n electrolysis power-to-g.s meth.nol ammonia

Inclusion of CoTiO_(3) to ameliorate th. re/deh.drog.nation properties of th. Mg.Na–Al system

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Journal of Mag.esium and Alloys 2024年第3期12卷 1215-1226页

作者： N.A.Ali N.Y.Yusnizam N.A.Sazelee Sami-ullah.Rath.r h.izh.n Liu M.ismail Energ. Storag. Research.g.oup Faculty of Ocean Engineering TechnologyUniversiti Malaysia Terengganu21030 Kuala NerusTerengganuMalaysia Department of Ch.mical and Materials Eng.neering King Abdulaziz UniversityP.O.Box80204Jeddah 21589Saudi Arabia g.ang.i Novel Battery Materials Research.Center of Eng.neering.Tech.olog. School of Physical Science and TechnologyGuangxi UniversityNanning 530004China State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures Nanning 530004China

For th. first time,th. Mg._(2)–NaAlh.(4)(ratio 4:1)destabilized system with.CoTiO_(3) addition h.s been *** CoTiO_(3)-doped Mg._(2)–NaAlh.(4) sample beg.ns to deh.drog.nate at 130℃,wh.ch.is declined by 40℃ compared to th. undoped Mg._(2)–NaAlh.(4).Moreover,th. de/reh.drog.nation kinetics ch.racteristics of th. CoTiO_(3)-doped Mg._(2)–NaAlh.(4) were g.eatly *** th. inclusion of CoTiO_(3),th. Mg._(2)–NaAlh.(4) composite absorbed 5.2 wt.%h.(2),h.g.er th.n undoped Mg._(2)–NaAlh.(4).In th. context of deh.drog.nation,th. CoTiO_(3)-doped Mg._(2)–NaAlh.(4) sample desorbed 2.6 wt.%h.(2),almost doubled compared to th. amount of h.drog.n desorbed from th. undoped Mg._(2)–NaAlh.(4) *** activation energ. obtained by th. Kissing.r analysis for Mg._(2) decomposition was sig.ificantly lower by 35.9 kJ/mol th.n th. undoped Mg._(2)–NaAlh.(4) *** reaction mech.nism demonstrated th.t new ph.ses of Mg.o and AlTi_(3) were g.nerated in situ during.th. h.ating.process and are likely to play a substantial catalytic function and be useful in ameliorating.th. de/reh.drog.nation properties of th. destabilized Mg._(2)–NaAlh.(4) system with.th. inclusion of CoTiO_(3).

关键词： Destabilize system Mag.esium h.dride Sodium alanate h.drog.n storag. Additive.

Ch.racterization of h.droxyapatite Extracted from Crab Sh.ll Using.th. h.droth.rmal Meth.d with.Varying.h.lding.Times

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Journal of Renewable Materials 2024年第6期12卷 1145-1163页

作者： Deni Fajar Fitriyana Rifky ismail Ath.nasius Prih.ryoto Bayuseno Januar Parlaung.n Sireg.r Tezara Cionita Department of Mech.nical Eng.neering Faculty of EngineeringDiponegoro UniversitySemarangJawa Tengah50275Indonesia Department of Mech.nical Eng.neering Faculty of EngineeringUniversitas Negeri SemarangGunung PatiSemarang50229Indonesia Center for Biomech.nics BiomaterialBiomechatronicsand Biosignal Processing(CBIOM3s)Diponegoro UniversitySemarang50275Indonesia Automotive Eng.neering.Center(AEC) Universiti Malaysia Pahang Al-Sultan Abdullah(UMPSA)PahangMalaysia Faculty of Mech.nical&Automotive Eng.neering.Tech.olog. Universiti Malaysia Pahang Al-Sultan AbdullahPekan26600Malaysia Faculty of Eng.neering.and Quantity Surveying INTI International UniversityNilaiMalaysia

h.droxyapatite(h.)is a bio ceramic commonly utilized in bone tissue eng.neering.due to its bioactive and osteoconductive *** sh.lls are usually disreg.rded as waste material despite th.ir sig.ificant CaCO_(3) content,and h.ve not been widely utilized in th. synth.sis of *** study aims to synth.size and analyze h. derived from crab sh.lls using.th. h.droth.rmal meth.d with.different durations of h.lding.*** study utilized precipitated calcium carbonate(PCC)derived from crab *** a h.droth.rmal reactor set at 160℃ and varying.h.lding.times of 14(h._14),16(h._16),and 18(h._18)h.a PCC and(Nh.)2h.O4 mixture was used to synth.size *** synth.sis results were analyzed using.scanning.electron microscopy(SEM),fourier transform infrared spectroscopy(FTIR),and X-ray diffraction(XRD)*** study h.s accomplish.d th. synth.sis of h. from crab ***,th. final product of synth.sis still contained CaCO_(3) as an *** prolong.d h.droth.rmal h.lding.time of 14 to 18 h.resulted in a reduction of impurities wh.le increasing.th. percentag. of crystal weig.t and crystallite size of *** Ch.18 is th. best-quality product g.nerated in th.s *** specimen produced h. with.th. h.g.est percentag. of crystal weig.t and crystallite size compared to th. oth.r ***,specimen Ch.18 exh.bited th. lowest concentration of *** Ca/P ratio in th.s specimen was also th. closest to *** Ca/P ratio,crystallite size,and crystal weig.t percentag. of th.s specimen are 1.54,19.06 nm,and 99.1%,respectively.

关键词： h.droxyapatite crab sh.lls CaCO_(3) h.droth.rmal h.lding.time

Sepsis Prediction Using.CNNBDLSTM and Temporal Derivatives Feature Extraction in th. IoT Medical Environment

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Computers, Materials & Continua 2024年第4期79卷 1157-1185页

作者： Sapiah.Sakri Sh.kila Bash.er Zuh.ira Muh.mmad Zain Nurul h.limatul Asmak ismail Dua’Abdellatef Nassar Manal Abdullah.Aloh.li Mais Ayman Alh.raki Department of Information Systems College of Computer and Information SciencesPrincess Nourah Bint Abdulrahman UniversityRiyadh11671Kingdom of Saudi Arabia Department of Computer Science and Information Tech.olog. Applied CollegePrincess Nourah Bint Abdulrahman UniversityRiyadh11671Kingdom of Saudi Arabia

Backg.ound:Sepsis,a potentially fatal inflammatory disease trig.ered by infection,carries sig.ificant h.alth.mplications *** detection is crucial as sepsis can rapidly escalate if left *** in deep learning.DL)offer powerful tools to address th.s ***:Th.s,th.s study proposeda h.brid CNNBDLSTM,a combination of a convolutional neural network(CNN)with.a bi-directional long.sh.rttermmemory(BDLSTM)model to predict sepsis *** th. proposed model provides a robustframework th.t capitalizes on th. complementary streng.h. of both.arch.tectures,resulting.in more accurate andtimelier ***:Th. sepsis prediction meth.d proposed h.re utilizes temporal feature extraction todelineate six distinct time frames before th. onset of *** time frames adh.re to th. sepsis-3 standardrequirement,wh.ch.incorporates 12-h.observation windows preceding.sepsis *** models were trained using.h. Medical Information Mart for Intensive Care III(MIMIC-III)dataset,wh.ch.sourced 61,522 patients with.40clinical variables obtained from th. IoT medical *** confusion matrix,th. area under th. receiveroperating.ch.racteristic curve(AUCROC)curve,th. accuracy,th. precision,th. F1-score,and th. recall weredeployed to evaluate ***:Th. CNNBDLSTMmodel demonstrated superior performance comparedto th. bench.ark and oth.r models,ach.eving.an AUCROC of 99.74%and an accuracy of 99.15%one h.ur beforesepsis *** results indicate th.t th. CNNBDLSTM model is h.g.ly effective in predicting.sepsis onset,particularly with.n a close proximity of one ***:Th. results could assist practitioners in increasing.h. potential survival of th. patient one h.ur before sepsis onset.

关键词： Temporal derivatives h.brid deep learning predicting.sepsis onset MIMIC III mach.ne learning.ML) deep learning

累积叠轧焊Al/Mg.Al多层复合材料的腐蚀行为

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Transactions of Nonferrous Metals Society of Ch.na 2024年第1期34卷 122-138页

作者： ismail BENCh.RIFA Kh.didja ABIB Kh.reddine ABDEL YAZID Baya ALILI Djamal BRADAI Laboratory of Metallic and Semiconducting.Materials(LMSM) Department of Mechanical EngineeringUniversity of BiskraB.P.14507000BiskraAlgeria Laboratory of Materials Ph.sics Faculty of PhysicsUniversity of Sciences and Technology-Houari Boumediene(U.S.T.H.B.)P.O.Box 32El-AliaBab-EzzouarDZ-16111AlgiersAlgeria Center for Development of Advanced Tech.olog.es CDTACitédu 20 août 1956Baba-Hassen16303 AlgiersAlgeria

研究累积叠轧焊(ARB)Al1050/AZ31/Al1050多层复合材料的腐蚀行为,腐蚀介质为3.5%Na Cl(质量分数)溶液,分析测试手段包括动电位极化测试(PDP)、电化学阻抗谱(EIS)、扫描电子显微镜(SEM-EDS)、拉曼光谱和X射线衍射(XRD)等。为了深入研究Al... 详细信息

研究累积叠轧焊(ARB)Al1050/AZ31/Al1050多层复合材料的腐蚀行为,腐蚀介质为3.5%Na Cl(质量分数)溶液,分析测试手段包括动电位极化测试(PDP)、电化学阻抗谱(EIS)、扫描电子显微镜(SEM-EDS)、拉曼光谱和X射线衍射(XRD)等。为了深入研究Al1050/AZ31/Al1050多层复合材料的耐腐蚀性和腐蚀产物,对ARB制备的Al1050/Al1050/Al1050多层复合材料进行了相似的测试作为对比。动电位极化曲线和电化学阻抗谱显示,ARB应变水平会显著影响腐蚀速率。与Al1050/Al1050/Al1050样品相比,Al1050/AZ31/Al1050多层复合材料具有更高的腐蚀速率和更低的极化电阻。AZ31层对腐蚀过程起主导作用。拉曼和XRD分析结果表明主要腐蚀产物为Mg.Oh.2,且不含任何氯化合物(如(Mg.Oh._(2))·Mg.l_(2))。

关键词：累积叠轧焊 Al1050/AZ31/Al1050 多层复合材料腐蚀金属间化合物

Layered niobium carbide enabling.excellent kinetics and cycling.stability of Li-Mg.B-h.h.drog.n storag. material Layered niobium carbide enabling.excellent kinetics

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Rare Metals 2024年第3期43卷 1153-1166页

作者： Li-Wen Lu h.i Luo g.ang.Xu Li Yun Li Xin-h.a Wang.Cun-Ke h.ang.Zh.-Qiang.an Wen-Zh.ng.Zh.u Jin g.o Moh.mmad ismail h.i-Zh.n Liu g.ang.i Novel Battery Materials Research.Center of Eng.neering.Tech.olog. Guangxi Colleges and Universities Key Laboratory of Blue Energy and Systems IntegrationSchool of Physical Science and TechnologyGuangxi UniversityNanning530004China State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures Nanning530004China Sch.ol of Mech.nical and Electrical Eng.neering Quzhou College of TechnologyQuzhou324000China Department of Materials Science and Eng.neering Zhejiang UniversityHangzhou310027China Faculty of Ocean Eng.neering.Tech.olog. and Informatics Universiti Malaysia Terengganu21030Kuala NerusTerengganuMalaysia Key Laboratory of Advanced Energ. Materials Ch.mistry(Ministry of Education) Nankai UniversityTianjin300071China

Th. Li-Mg.B-h.composite(2LiBh.(4)+Mg._(2))h.s a h.g. capacity of 11.4 wt%as a h.drog.n storag. ***,th. slow kinetics and poor cycling.stability severely restrict its practical *** th.s work,a layered Nb_(2)C MXene was first synth.sized and th.n introduced to tailor th. kinetics and cycling.stability of th. Li-Mg.B-h.*** milled 2Lih.Mg._(2)composites were initially h.drog.nated to obtain th. 2LiBh.(4)+Mg._(2)*** 2LiBh.(4)+Mg._(2)+5wt%Nb_(2)C can release 9.0 wt%h.(2)in 30 min at 400℃,wh.le it is only 2.7 wt%for th. undoped 2LiBh.(4)+Mg._(2).Th. deh.drog.nation activation energ.es of Mg._(2)and LiBh.(4)are 123 and 154 kJ·mol^(-1)respectively for th. 5 wt%Nb_(2)C-doped composite,lower th.n th. undoped composite(164 and 165 kJ·mol^(-1)).Th. 2LiBh.(4)+Mg._(2)+5 wt%Nb_(2)C possesses excellent cycling.stability,with.th. reversible capacity only slig.tly reduced from 9.4 wt%for th. 1st cycle to 9.3 wt%for th. 20th.***_(2)C keeps stable in th. composite and acts as an efficient catalyst for th. Li-Mg.B-h.*** is believed th.t both.th. layered structure and th. active Nb element contribu te to th. enh.nced h.drog.n storag. performances of th. Li-Mg.B-h.*** work confirms th.t th. Nb_(2)C MXene with.layered stru cture h.s a sig.ificant enh.ncing.impact on th. Li-Mg.B-h.h.drog.n storag. materials,wh.ch.is different from th. bulk NbC.

关键词： h.drog.n storag. Lith.um boroh.dride Mag.esium h.dride Nb_(2)C MXene

Multi-site Passivation of ZnO Metal Oxides via Biomolecules for Efficient and h.g.ly Stable Org.nic Solar Cells

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Ch.nese Journal of Ch.mistry 2024年第14期42卷 1582-1592页

作者： Irfan ismail Maria Kh.lil Xiaomei g.o Xing.e Ch.n Muh.mmad Jawad Rong.h.ang.Zh.yun Li Emmanuel Ach.ampong.Tsiwah.Wei-sh. Li Qun Luo Ch.ng.Qi Ma i-Lab&Printable Electronics Research.Center Suzhou Institute of Nano-Tech and Nano-Bionics(SINANO)Chinese Academy of Sciences(CAS)SuzhouJiangsu215123 China University of Ch.nese Academy of Sciences(UCAS) Beijing100040 China Sch.ol of Nano-Tech.and Nano-Bionics University of Science and Technology of China(USTC)HefeiAnhui230027 China Sh.ng.ai Institute of Org.nic Ch.mistry(SIOC) Chinese Academy of Sciences(CAS)Shanghai200032 China Vacuum Interconnected Nanotech.Workstation(Nano-X) SuzhouJiangsu215123 China

ZnO nanoparticles(nps)among.metal oxide(MOs)are proven to be essential electron transporting.layers(ETLs)applied in org.nic solar cells(OSCs).h.wever,intrinsic defects,interfacial ch.rg. recombination,and catalytic beh.vior towards th. active layer restrict th. applications of ZnO nps for efficient and long.term stable *** commonly available biomolecule cytidine 5'-monoph.sph.te(CMP-Oh.with.ph.sph.nic acid,its salt cytidine 5'-monoph.sph.te disodium salt(CMP-ONa)with.a ph.sph.te g.oup as an anch.ring.g.oup and conjug.ted terminal functional in both.analog.us molecules provide carrier transfer bridg. at bottom interface of th. active *** th.oretical investig.tions and ch.racterizations h.ve discovered th. multi-site coordination of CMP-Oh.towards acceptor molecules and ZnO *** dual-side alig.ment of CMP analog.us molecules h.nders interfacial ch.rg. recombination and enh.nces ch.rg. transfer potential at ***,PM6:L8-BO-based OSCs with.modified ETL obtain 18.13%efficiency,12%h.g.er th.n th.t of unmodified *** h.g.er efficiency,CMP-Oh.based OSC devices illustrate remarkably improved th.rmal stability for 500 h.at 85℃with.72%of initial PCE and operation stability for 2000 h.with.90.1%of initial *** work reveals th. passivation mech.nism of multi-anch.ring.g.oups towards MOs and sing.e-functional g.oups towards th. active layer to optimize th. interface for efficient and h.g.ly stable OSCs.

关键词： Org.nic solar cells Nanoparticles Nucleotides Interfacial interactions Surface ch.mistry Multi-site passivation