Literatura académica sobre el tema "Hydrogen Storage Materials - Computational Studies"
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Artículos de revistas sobre el tema "Hydrogen Storage Materials - Computational Studies"
Catlow, C. R. A., Z. X. Guo, M. Miskufova, S. A. Shevlin, A. G. H. Smith, A. A. Sokol, A. Walsh, D. J. Wilson y S. M. Woodley. "Advances in computational studies of energy materials". Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 368, n.º 1923 (28 de julio de 2010): 3379–456. http://dx.doi.org/10.1098/rsta.2010.0111.
Texto completoLi, Yafei, Zhen Zhou, Panwen Shen, S. B. Zhang y Zhongfang Chen. "Computational studies on hydrogen storage in aluminum nitride nanowires/tubes". Nanotechnology 20, n.º 21 (6 de mayo de 2009): 215701. http://dx.doi.org/10.1088/0957-4484/20/21/215701.
Texto completoGunawan, Rahmat, Cynthia Linaya Radiman, Muhamad Abdulkadir Martoprawiro y Hermawan K. Dipojono. "Graphite as A Hydrogen Storage in Fuel Cell System: Computational Material Study for Renewable Energy". Jurnal ILMU DASAR 17, n.º 2 (1 de febrero de 2017): 103. http://dx.doi.org/10.19184/jid.v17i2.3499.
Texto completoRavindran, P., P. Vajeeston, H. Fjellvåg y A. Kjekshus. "Chemical-bonding and high-pressure studies on hydrogen-storage materials". Computational Materials Science 30, n.º 3-4 (agosto de 2004): 349–57. http://dx.doi.org/10.1016/j.commatsci.2004.02.025.
Texto completoHudiyanti, Dwi, Noor Ichsan Hamidi, Daru Seto Bagus Anugrah, Siti Nur Milatus Salimah y Parsaoran Siahaan. "Encapsulation of Vitamin C in Sesame Liposomes: Computational and Experimental Studies". Open Chemistry 17, n.º 1 (24 de agosto de 2019): 537–43. http://dx.doi.org/10.1515/chem-2019-0061.
Texto completoXie, Xin, Xushan Zhao y Jiangfeng Song. "A High-Throughput Computational Study on the Stability of Ni- and Ti-Doped Zr2Fe Alloys". Energies 15, n.º 7 (22 de marzo de 2022): 2310. http://dx.doi.org/10.3390/en15072310.
Texto completoYang, Seung Jae, Jung Hyun Cho, Kunsil Lee, Taehoon Kim y Chong Rae Park. "Concentration-Driven Evolution of Crystal Structure, Pore Characteristics, and Hydrogen Storage Capacity of Metal Organic Framework-5s: Experimental and Computational Studies". Chemistry of Materials 22, n.º 22 (23 de noviembre de 2010): 6138–45. http://dx.doi.org/10.1021/cm101943e.
Texto completoMehboob, Muhammad Yasir, Riaz Hussain, Zobia Irshad, Ume Farwa, Muhammad Adnan y Shabbir Muhammad. "Designing and Encapsulation of Inorganic Al12N12 Nanoclusters with Be, Mg, and Ca Metals for Efficient Hydrogen Adsorption: A Step Forward Towards Hydrogen Storage Materials". Journal of Computational Biophysics and Chemistry 20, n.º 07 (7 de octubre de 2021): 687–705. http://dx.doi.org/10.1142/s2737416521500411.
Texto completoLiu, Xingbo, Hanchen Tian y Wenyuan Li. "(Invited) Proton‐Conducting Solid Oxide Electrolysis Cells for Hydrogen Production - Materials Design and Catalyst Surface Engineering". ECS Meeting Abstracts MA2022-02, n.º 49 (9 de octubre de 2022): 1907. http://dx.doi.org/10.1149/ma2022-02491907mtgabs.
Texto completoSunkara, Mahendra Kumar. "Plasma-molten Metal and/or Liquid Interactions for Materials/Chemical Processing". ECS Meeting Abstracts MA2020-01, n.º 17 (1 de mayo de 2020): 1106. http://dx.doi.org/10.1149/ma2020-01171106mtgabs.
Texto completoTesis sobre el tema "Hydrogen Storage Materials - Computational Studies"
Srepusharawoot, Pornjuk. "Computational Studies of Hydrogen Storage Materials : Physisorbed and Chemisorbed Systems". Doctoral thesis, Uppsala universitet, Materialteori, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-132875.
Texto completoFelaktigt tryckt som Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology 712
Mueller, Timothy Keith. "Computational studies of hydrogen storage materials and the development of related methods". Thesis, Massachusetts Institute of Technology, 2007. http://hdl.handle.net/1721.1/42138.
Texto completoIncludes bibliographical references (p. 193-199).
Computational methods, including density functional theory and the cluster expansion formalism, are used to study materials for hydrogen storage. The storage of molecular hydrogen in the metal-organic framework with formula unit Zn40(02C-C6H6-COD3 is considered. It is predicted that hydrogen adsorbs at five sites near the metal-oxide cluster, in good agreement with recent experimental data. It is also shown that the metal-oxide cluster affects the electronic structure of the organic linker, qualitatively affecting the way in which hydrogen binds to the linker. Lithium imide (Li2NH), a material present in several systems being considered for atomic hydrogen storage, is extensively investigated. A variation of the cluster expansion formalism that accounts for continuous bond orientations is developed to search for the ground state structure of this material, and a structure with a calculated energy lower than any known is found. Two additional discrete cluster expansions are used to predict that the experimentally observed phase of lithium imide is metastable at temperatures below approximately 200 K and stabilized primarily by vibrational entropy at higher temperatures. A new structure for this low-temperature phase that agrees well with experimental data is proposed. A method to improve the predictive power of cluster expansions through the application of statistical learning theory is developed, as are related algorithms. The Bayesian approach to regularization is used to show that by taking advantage of the prior expectation that cluster expansions are local, the convergence and prediction properties of cluster expansions can be significantly improved.
(cont.) A variety of methods to generate cluster expansions are evaluated on three different binary systems. It is suggested that a good method to generate cluster expansions is to use a prior distribution that penalizes the ECI for larger clusters more and has few parameters. It is shown that the generalized cross-validation score can be an efficient and effective substitute for the leave-one-out cross-validation score when searching for a good set of parameters for the prior distribution. Finally it is shown that the Bayesian approach can also be used to improve the convergence and prediction properties of cluster expansions for surfaces, nanowires, nanoparticles, and certain defects.
by Timothy K. Mueller.
Ph.D.
Larsson, Peter. "Computational Studies of Nanotube Growth, Nanoclusters and Cathode Materials for Batteries". Doctoral thesis, Uppsala universitet, Materialteori, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-108261.
Texto completoKelkar, T. "Computational study of hydrogen storage materials for fuel cells". Thesis(Ph.D.), CSIR-National Chemical Laboratory, Pune, 2009. http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/2757.
Texto completoMa, Zhu. "First-principles study of hydrogen storage materials". Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/22672.
Texto completoCommittee Chair: Mei-Yin Chou; Committee Member: Erbil, Ahmet; Committee Member: First, Phillip; Committee Member: Landman, Uzi; Committee Member: Wang, Xiao-Qian.
Sheppard, Drew A. "Hydrogen storage studies of mesoporous and titanium based materials". Thesis, Curtin University, 2008. http://hdl.handle.net/20.500.11937/1164.
Texto completoMartin, Gregory Stephen Bernard. "Solid-state nuclear magnetic resonance studies of hydrogen storage materials". Thesis, University of Nottingham, 2014. http://eprints.nottingham.ac.uk/14108/.
Texto completoMoss, Jared B. "Computational and Experimental Studies on Energy Storage Materials and Electrocatalysts". DigitalCommons@USU, 2019. https://digitalcommons.usu.edu/etd/7537.
Texto completoHussain, Tanveer. "Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics". Doctoral thesis, Uppsala universitet, Institutionen för fysik och astronomi, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-206938.
Texto completoKnick, Cory. "Modeling the Exfoliation Rate of Graphene Nanoplatelet Production and Application for Hydrogen Storage". Wright State University / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=wright1347767528.
Texto completoLibros sobre el tema "Hydrogen Storage Materials - Computational Studies"
George, Thomas F. Computational studies of new materials II: From ultrafast processes and nanostructures to optoelectronics, energy storage and nanomedicine. Singapore: World Scientific, 2011.
Buscar texto completoYartys, Volodymyr, Yuriy Solonin y Ihor Zavaliy. HYDROGEN BASED ENERGY STORAGE: STATUS AND RECENT DEVELOPMENTS. Institute for Problems in Materials Science, 2021. http://dx.doi.org/10.15407/materials2021.
Texto completoNarlikar, A. V. y Y. Y. Fu, eds. Oxford Handbook of Nanoscience and Technology. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533060.001.0001.
Texto completoCapítulos de libros sobre el tema "Hydrogen Storage Materials - Computational Studies"
Le, Viet-Duc y Yong-Hyun Kim. "Energy Storage: Hydrogen". En Computational Approaches to Energy Materials, 131–48. Oxford, UK: John Wiley & Sons Ltd, 2013. http://dx.doi.org/10.1002/9781118551462.ch5.
Texto completoMajzoub, Eric H. "Computational Discovery of Hydrogen Storage Compounds". En Computational Studies of New Materials II, 481–502. WORLD SCIENTIFIC, 2011. http://dx.doi.org/10.1142/9789814287197_0018.
Texto completoMiwa, Kazutoshi. "Computational Materials Design for Hydrogen Storage". En Multiscale Simulations for Electrochemical Devices, 1–23. Jenny Stanford Publishing, 2020. http://dx.doi.org/10.1201/9780429295454-1.
Texto completoKlein, R. A., H. A. Evans, B. A. Trump, T. J. Udovic y C. M. Brown. "Neutron scattering studies of materials for hydrogen storage". En Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier, 2021. http://dx.doi.org/10.1016/b978-0-12-823144-9.00028-5.
Texto completoDornheim, Martin. "Thermodynamics of Metal Hydrides: Tailoring Reaction Enthalpies of Hydrogen Storage Materials". En Thermodynamics - Interaction Studies - Solids, Liquids and Gases. InTech, 2011. http://dx.doi.org/10.5772/21662.
Texto completoWalker, G., Mohamed Bououdina, Z. X. Guo y D. Fruchart. "Overview on Hydrogen Absorbing Materials". En Handbook of Research on Nanoscience, Nanotechnology, and Advanced Materials, 312–42. IGI Global, 2014. http://dx.doi.org/10.4018/978-1-4666-5824-0.ch013.
Texto completoMaiyelvaganan, K. R., M. Janani, K. Gopalsamy, M. K. Ravva, M. Prakash y V. Subramanian. "Studies on hydrogen storage in molecules, cages, clusters, and materials: A DFT study". En Atomic Clusters with Unusual Structure, Bonding and Reactivity, 213–35. Elsevier, 2023. http://dx.doi.org/10.1016/b978-0-12-822943-9.00019-x.
Texto completoPradhan, Renuka y Upakarasamy Lourderaj. "Computational Studies on the Excited-State Intramolecular Proton Transfer in Five-Membered-Ring Hydrogen-Bonded Systems". En Hydrogen-Bonding Research in Photochemistry, Photobiology, and Optoelectronic Materials, 155–78. WORLD SCIENTIFIC (EUROPE), 2019. http://dx.doi.org/10.1142/9781786346087_0007.
Texto completoYeetsorn, Rungsima y Yaowaret Maiket. "Hydrogen Fuel Cell Implementation for the Transportation Sector". En Hydrogen Implementation in Transportation Sector [Working Title]. IntechOpen, 2020. http://dx.doi.org/10.5772/intechopen.95291.
Texto completoActas de conferencias sobre el tema "Hydrogen Storage Materials - Computational Studies"
Hormaza Mejia, Nohora A. y Jack Brouwer. "Gaseous Fuel Leakage From Natural Gas Infrastructure". En ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-88271.
Texto completoAvila, Raudel O., Md S. Islam y Pavana Prabhakar. "Thermal Gradient on Hybrid Composite Propellant Tank Materials at Cryogenic Temperatures". En ASME 2016 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/imece2016-65727.
Texto completoHe, Siyi. "Computational research method of nanostructured hydrogen storage materials". En International Conference on Sustainable Technology and Management (ICSTM 2022), editado por Xilong Qu. SPIE, 2022. http://dx.doi.org/10.1117/12.2644688.
Texto completoSmith, Sheriden y Young Ho Park. "Hydrogen Storage Using Carbon Nanostructures". En ASME 2015 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/pvp2015-45019.
Texto completoOjwang’, J. G. O., Rutger van Santen, Gert Jan Kramer, Adri C. T. van Duin, William A. Goddard, Theodore E. Simos, George Maroulis, George Psihoyios y Ch Tsitouras. "Modeling of Hydrogen Storage Materials: A Reactive Force Field for NaH". En SELECTED PAPERS FROM ICNAAM-2007 AND ICCMSE-2007: Special Presentations at the International Conference on Numerical Analysis and Applied Mathematics 2007 (ICNAAM-2007), held in Corfu, Greece, 16–20 September 2007 and of the International Conference on Computational Methods in Sciences and Engineering 2007 (ICCMSE-2007), held in Corfu, Greece, 25–30 September 2007. AIP, 2008. http://dx.doi.org/10.1063/1.2997304.
Texto completoPark, Y. H. y I. Hijazi. "EAM Potential for Hydrogen Storage Application". En ASME 2017 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/pvp2017-65845.
Texto completoPourpoint, Timothe´e L., Aaron Sisto, Kyle C. Smith, Tyler G. Voskuilen, Milan K. Visaria, Yuan Zheng y Timothy S. Fisher. "Performance of Thermal Enhancement Materials in High Pressure Metal Hydride Storage Systems". En ASME 2008 Heat Transfer Summer Conference collocated with the Fluids Engineering, Energy Sustainability, and 3rd Energy Nanotechnology Conferences. ASMEDC, 2008. http://dx.doi.org/10.1115/ht2008-56450.
Texto completoTamburello, David, Bruce Hardy, Claudio Corgnale, Martin Sulic y Donald Anton. "Cryo-Adsorbent Hydrogen Storage Systems for Fuel Cell Vehicles". En ASME 2017 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/fedsm2017-69411.
Texto completoTamburello, David, Bruce Hardy, Martin Sulic, Matthew Kesterson, Claudio Corgnale y Donald Anton. "Compact Cryo-Adsorbent Hydrogen Storage Systems for Fuel Cell Vehicles". En ASME 2018 Power Conference collocated with the ASME 2018 12th International Conference on Energy Sustainability and the ASME 2018 Nuclear Forum. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/power2018-7474.
Texto completoRiahi, Adil, Sara Algurab, Marcel Otto, Erik Fernandez, Jayanta Kapat, Joshua Schmitt y Swati Saxena. "Numerical Performance Study of Adsorption Based Hydrogen Storage System in Silica Aerogel". En ASME Turbo Expo 2022: Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/gt2022-82711.
Texto completoInformes sobre el tema "Hydrogen Storage Materials - Computational Studies"
Yelon, William B. In-Situ Neutron Diffraction Studies of Complex Hydrogen Storage Materials. Office of Scientific and Technical Information (OSTI), mayo de 2013. http://dx.doi.org/10.2172/1079211.
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