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1Academic Journal
المؤلفون: Yo-ichi Yamamoto, Toshinori Suzuki
مصطلحات موضوعية: Biophysics, Pharmacology, Evolutionary Biology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, wide wavelength range, ultrafast spectral shift, sup >– sup, subpicosecond time scale, resolved photoelectron spectroscopy, presolvated electron plays, including electron detachment, iglev et al, employed ultraviolet time, charge transfer reactions, technical challenges stemming, 3 sub, dynamics using tas, complete dynamics, atom transfer, structural diffusion, pivotal role, liquid water, liquid methanol, geminate recombination, enabling us, comprehensive investigation, aqueous solutions
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2Academic Journal
المؤلفون: Sachith Wickramasinghe, Alexandria Hoehn, Shehani T. Wetthasinghe, Huina Lin, Qi Wang, Jacek Jakowski, Vitaly Rassolov, Chuanbing Tang, Sophya Garashchuk
مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Inorganic Chemistry, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, model systems confined, high ionic conductivity, electronic structure computed, aqueous environment based, aems ), exhibiting, structural diffusion mechanisms, low diffusion coefficients, highest diffusion coefficient, moderate water densities, hydroxide diffusion depends, proton hopping mechanism, nuclear quantum effects, enough water molecules, hydroxide diffusion, proton hopping, water rearrangements, liquid water, enough space, hydroxide transport, theoretical examination, solvation shell
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3Academic Journal
المؤلفون: Castañeda Ramírez, Sergio
المساهمون: Ribadeneira Paz, Rafael Esteban, Universidad Nacional de Colombia - Sede Medellín, Grupo Kimera
مصطلحات موضوعية: 660 - Ingeniería química, Fuel Cell, Anion-Exchange Membrane, Ionic Conductivity, Structural Diffusion, Density Functional Theory, ab initio Molecular Dynamics, Celda de combustible, Membrana de intercambio aniónico, Conductividad iónica, Difusión estructural, Teoría de funcionales de densidad, Dinámica molecular ab-initio
وصف الملف: application/pdf
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Gonzalez, Alkaline direct alcohol fuel cells, J. Power Sources. 195 (2010) 3431–3450. https://doi.org/10.1016/j.jpowsour.2009.11.145.; Q.H. Zeng, Q.L. Liu, I. Broadwell, A.M. Zhu, Y. Xiong, X.P. Tu, Anion exchange membranes based on quaternized polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene for direct methanol alkaline fuel cells, J. Memb. Sci. 349 (2010) 237–243. https://doi.org/10.1016/j.memsci.2009.11.051.; L. Sun, J. Guo, J. Zhou, Q. Xu, D. Chu, R. Chen, Novel nanostructured high-performance anion exchange ionomers for anion exchange membrane fuel cells, J. Power Sources. 202 (2012) 70–77. https://doi.org/10.1016/j.jpowsour.2011.11.023.; A.D. Mohanty, C.Y. Ryu, Y.S. Kim, C. Bae, Stable Elastomeric Anion Exchange Membranes Based on Quaternary Ammonium-Tethered Polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene Triblock Copolymers, Macromolecules. 48 (2015) 7085–7095. https://doi.org/10.1021/acs.macromol.5b01382.; P. Dai, Z.H. Mo, R.W. Xu, S. Zhang, Y.X. Wu, Cross-Linked Quaternized Poly(styrene-b-(ethylene-co-butylene)-b-styrene) for Anion Exchange Membrane: Synthesis, Characterization and Properties, ACS Appl. Mater. Interfaces. 8 (2016) 20329–20341. https://doi.org/10.1021/acsami.6b04590.; S. Castañeda, C.I. Sánchez, Modeling and analysis of ion transport through anion exchange membranes used in alkaline fuel cells, ECS Trans. 50 (2012) 2091–2107.; J.R. Varcoe, P. Atanassov, D.R. Dekel, A.M. Herring, M. a. Hickner, P. a. Kohl, A.R. Kucernak, W.E. Mustain, K. Nijmeijer, K. Scott, T. Xu, L. Zhuang, Anion-exchange membranes in electrochemical energy systems, Energy Environ. Sci. 7 (2014) 3135–3191. https://doi.org/10.1039/b000000x.; Z.F. Pan, L. An, T.S. Zhao, Z.K. Tang, Advances and challenges in alkaline anion exchange membrane fuel cells, Prog. Energy Combust. Sci. 66 (2018) 141–175. https://doi.org/10.1016/j.pecs.2018.01.001.; V. Vijayakumar, S.Y. 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Phys. Lett. 511 (2011) 177–182. https://doi.org/10.1016/j.cplett.2011.05.066.; D. Marx, Proton transfer 200 years after von Grotthuss: insights from ab initio simulations., Chemphyschem. 7 (2006) 1848–70. https://doi.org/10.1002/cphc.200600128.; G. Yang, J. Hao, J. Cheng, N. Zhang, G. He, F. Zhang, C. Hao, Hydroxide ion transfer in anion exchange membrane: A density functional theory study, Int. J. Hydrogen Energy. 41 (2016) 6877–6884. https://doi.org/10.1016/j.ijhydene.2016.03.067.; C. Chen, Y.L.S. Tse, G.E. Lindberg, C. Knight, G.A. Voth, Hydroxide Solvation and Transport in Anion Exchange Membranes, J. Am. Chem. Soc. 138 (2016) 991–1000. https://doi.org/10.1021/jacs.5b11951.; W. Zhang, A.C.T. Van Duin, ReaxFF Reactive Molecular Dynamics Simulation of Functionalized Poly(phenylene oxide) Anion Exchange Membrane, J. Phys. Chem. C. 119 (2015) 27727–27736. https://doi.org/10.1021/acs.jpcc.5b07271.; D. Dong, W. Zhang, A.C.T. Van Duin, D. Bedrov, Grotthuss versus Vehicular Transport of Hydroxide in Anion-Exchange Membranes: Insight from Combined Reactive and Nonreactive Molecular Simulations, J. Phys. Chem. Lett. 9 (2018) 825–829. https://doi.org/10.1021/acs.jpclett.8b00004.; W. Zhang, D. Dong, D. Bedrov, A.C.T. Van Duin, Hydroxide transport and chemical degradation in anion exchange membranes: A combined reactive and non-reactive molecular simulation study, J. Mater. Chem. A. 7 (2019) 5442–5452. https://doi.org/10.1039/c8ta10651g.; D. Muñoz-Santiburcio, D. Marx, On the complex structural diffusion of proton holes in nanoconfined alkaline solutions within slit pores, Nat. Commun. 7 (2016) 1–9. https://doi.org/10.1038/ncomms12625.; T. Zelovich, Z. Long, M. Hickner, S.J. Paddison, C. Bae, M.E. Tuckerman, Ab Initio Molecular Dynamics Study of Hydroxide Diffusion Mechanisms in Nanoconfined Structural Mimics of Anion Exchange Membranes, J. Phys. Chem. C. 123 (2019) 4638–4653. https://doi.org/10.1021/acs.jpcc.8b10298.; T. Zelovich, L. Vogt-Maranto, M.A. Hickner, S.J. Paddison, C. Bae, D.R. Dekel, M.E. Tuckerman, Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights from Ab Initio Molecular Dynamics, Chem. Mater. 31 (2019) 5778–5787. https://doi.org/10.1021/acs.chemmater.9b01824.; D. Marx, J. Hutter, Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods, 2009. http://medcontent.metapress.com/index/A65RM03P4874243N.pdf (accessed October 7, 2013).; K.-D. Kreuer, S.J. Paddison, E. Spohr, M. Schuster, Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology., Chem. Rev. 104 (2004) 4637–78. http://www.ncbi.nlm.nih.gov/pubmed/15669165.; M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Second, Oxford University Press, Oxford, 2017.; F. Tassone, F. Mauri, R. Car, Acceleration schemes for ab initio molecular-dynamics simulations and electronic-structure calculations, Phys. Rev. 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Marx, Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions, Phys. Rev. Lett. 99 (2007) 1–4. https://doi.org/10.1103/PhysRevLett.99.145901.; M.E. Tuckerman, A. Chandra, D. Marx, A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases, J. Chem. Phys. 133 (2010). https://doi.org/10.1063/1.3474625.; B. V. Merinov, W.A. Goddard, Computational modeling of structure and OH-anion diffusion in quaternary ammonium polysulfone hydroxide – Polymer electrolyte for application in electrochemical devices, J. Memb. Sci. 431 (2013) 79–85. https://doi.org/10.1016/j.memsci.2012.12.010.; H.N. Sarode, G.E. Lindberg, Y. Yang, L.E. Felberg, G. a. Voth, A.M. Herring, Insights into the transport of aqueous quaternary ammonium cations: A combined experimental and computational study, J. Phys. Chem. B. 118 (2014) 1363–1372. https://doi.org/10.1021/jp4085662.; S. Chempath, B.R. Einsla, L.R. Pratt, C.S. Macomber, J.M. Boncella, J.A. Rau, B.S. Pivovar, Mechanism of Tetraalkylammonium Headgroup Degradation in Alkaline Fuel Cell Membranes, J. Phys. Chem. C. 112 (2008) 3179–3182. https://doi.org/10.1021/jp7115577.; S. Chempath, J.M. Boncella, L.R. Pratt, N. Henson, B.S. Pivovar, Density Functional Theory Study of Degradation of Tetraalkylammonium Hydroxides, J. Phys. Chem. C. 114 (2010) 11977–11983. https://doi.org/10.1021/jp9122198.; H. Long, K. Kim, B.S. Pivovar, Hydroxide Degradation Pathways for Substituted Trimethylammonium Cations: A DFT Study, J. Phys. Chem. C. 116 (2012) 9419–9426. https://doi.org/10.1021/jp3014964.; A.S. Davies, W.O. George, S.T. Howard, Ab initio and DFT computer studies of complexes of quaternary nitrogen cations: trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine with hydroxide, fluoride and chloride anions, Phys. 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Schulten, VMD: Visual Molecular Dynamics, J. Mol. Graph. 14 (1996) 33–38.; B.N. Cassenti, K.N. Grew, W.K.S. Chiu, The Use of Statistical Mechanics for Hydroxyl Ion Transport in an Alkaline Anion-Exchange Membrane, ECS Trans. 33 (2010) 1875–1887.; W.Y. Hsu, T.D. Gierke, Ion transport and clustering in nafion perfluorinated membranes, J. Memb. Sci. 13 (1983) 307–326. https://doi.org/10.1016/S0376-7388(00)81563-X.; Castañeda, S. (2020). Theoretical study of the Grotthuss mechanism for hydroxide ions in a homogeneous membrane used in alkaline fuel cells. Universidad Nacional de Colombia, Medellín, Colombia; https://repositorio.unal.edu.co/handle/unal/78388
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المؤلفون: Takehiro Higuchi, Shingo Ozaki, Kenta Goto, Ohmi Fuchiwaki, Tomoyuki Hirata, Wataru Nakao
المصدر: International Journal of Hydrogen Energy. 44:16877-16886
مصطلحات موضوعية: Finite element method, Materials science, Hydrogen, Diffusion, Energy Engineering and Power Technology, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Hydrogen storage, Physics::Plasma Physics, Phase (matter), Physics::Atomic Physics, Composite material, FOIL method, Renewable Energy, Sustainability and the Environment, Hydrogen atom, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, body regions, Fuel Technology, chemistry, embryonic structures, Metal hydride, Stress induced diffusion, Deformation (engineering), 0210 nano-technology, Actuator, Structural-diffusion coupled analysis, Palladium
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5Academic Journal
المساهمون: The Pennsylvania State University CiteSeerX Archives
مصطلحات موضوعية: Static structure factor, Pair distribution function, Structural Diffusion Model
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.524.5069; http://joam.inoe.ro/arhiva/pdf3_2/Dalgic.pdf
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6Academic Journal
المؤلفون: Goto Kenta, Hirata Tomoyuki, Higuchi Takehiro, Fuchiwaki Ohmi, Ozaki Shingo, Nakao Wataru
مصطلحات موضوعية: Metal hydride, Stress induced diffusion, Finite element method, Structural-diffusion coupled analysis, Palladium
Relation: https://ynu.repo.nii.ac.jp/?action=repository_uri&item_id=10581; http://hdl.handle.net/10131/00013243; International Journal of Hydrogen Energy, 44(31), 16877-16886(2019-06-21); https://ynu.repo.nii.ac.jp/?action=repository_action_common_download&item_id=10581&item_no=1&attribute_id=20&file_no=1
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7
المؤلفون: Yossi Cohen, Daniel H. Rothman
المساهمون: Massachusetts Institute of Technology. Department of Chemical Engineering, Massachusetts Institute of Technology. Department of Earth, Atmospheric, and Planetary Sciences, Lorenz Center (Massachusetts Institute of Technology), Cohen, Yossi, Rothman, Daniel H.
المصدر: Proceedings. Mathematical, Physical, and Engineering Sciences / The Royal Society
Royal Societyمصطلحات موضوعية: invasion percolation, General Mathematics, Bubble, Diffusion, General Physics and Astronomy, chemistry.chemical_element, Thermal diffusivity, chemistry.chemical_compound, Brining, Research Articles, structural diffusion, Precipitation (chemistry), General Engineering, carbon sequestration, chemistry, Chemical engineering, self-sealing, Carbonate, Porous medium, Carbon, Grotthuss mechanism, reactive transport model
وصف الملف: application/pdf
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8Academic Journal
المؤلفون: Esai Selvan, Myvizhi
المصدر: Doctoral Dissertations
مصطلحات موضوعية: reactive molecular dynamics simulation, proton transport, structural diffusion, confinement, acidity, polymer electrolyte membrane, Other Chemical Engineering
وصف الملف: application/pdf
Relation: https://trace.tennessee.edu/utk_graddiss/880; https://trace.tennessee.edu/context/utk_graddiss/article/1999/viewcontent/EsaiSelvanMyvizhiDecember2010dissertation.pdf
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9Academic Journal
المؤلفون: Yen, M.-S., Chen, J.-C., Hong, P.-D., Chen, C.-C.
المساهمون: 國立臺灣科技大學材料科學與工程學系
مصطلحات موضوعية: Antibacterial property, Dye absorption, Plasma, Pore structure, Structural diffusion resistance constant
Relation: Textile Research Journal, Vol.76, Issue.3, pp.208-215; http://ir.lib.ntust.edu.tw/handle/987654321/30507; http://ir.lib.ntust.edu.tw/bitstream/987654321/30507/-1/index.html
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10Academic Journal
المؤلفون: Coscelli, Andrea, Shum, Matthew
المصدر: Journal of Econometrics, 122(2), 213-246, (2004-10)
مصطلحات موضوعية: Entry of innovative drugs, Barriers to entry, Structural diffusion models
Relation: https://doi.org/10.1016/j.jeconom.2003.09.002; eprintid:12240; resolverid:CaltechAUTHORS:COSje04
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11Academic Journal
المؤلفون: Dalgyc, S., Talip, N., Oruc, I.
المساهمون: TRAKYA UNIV EDIRNE (TURKEY) DEPT OF PHYSICS
المصدر: DTIC AND NTIS
مصطلحات موضوعية: Crystallography, Optics, AMORPHOUS MATERIALS, CRYSTALLOGRAPHY, SYMPOSIA, STRUCTURAL PROPERTIES, ATOMS, IRON, NICKEL, LATTICE DYNAMICS, DIFFUSION, TURKEY, ACTIVATION ENERGY, COMPONENT REPORTS, FOREIGN REPORTS, SDM(STRUCTURAL DIFFUSION MODEL), STATIC STRUCTURE FACTOR, PAIR DISTRIBUTION FACTOR, AMORPHOUS SYSTEMS
وصف الملف: text/html
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12
المؤلفون: Melchior, Jan-Patrick
المساهمون: Maier, Joachim
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13Electronic Resource
المؤلفون: Goto, Kenta, Hirata, Tomoyuki, Higuchi, Takehiro, Fuchiwaki, Ohmi, Ozaki, Shingo, Nakao, Wataru
مصطلحات الفهرس: Metal hydride, Stress induced diffusion, Finite element method, Structural-diffusion coupled analysis, Palladium, Journal Article, AM
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14Electronic Resource
المصدر: DTIC AND NTIS
مصطلحات الفهرس: Crystallography, Optics, AMORPHOUS MATERIALS, CRYSTALLOGRAPHY, SYMPOSIA, STRUCTURAL PROPERTIES, ATOMS, IRON, NICKEL, LATTICE DYNAMICS, DIFFUSION, TURKEY, ACTIVATION ENERGY., COMPONENT REPORTS, FOREIGN REPORTS, SDM(STRUCTURAL DIFFUSION MODEL), STATIC STRUCTURE FACTOR, PAIR DISTRIBUTION FACTOR, AMORPHOUS SYSTEMS, Text