Littérature scientifique sur le sujet « Hydrogen Storage Materials - Computational Studies »
Créez une référence correcte selon les styles APA, MLA, Chicago, Harvard et plusieurs autres
Sommaire
Consultez les listes thématiques d’articles de revues, de livres, de thèses, de rapports de conférences et d’autres sources académiques sur le sujet « Hydrogen Storage Materials - Computational Studies ».
À côté de chaque source dans la liste de références il y a un bouton « Ajouter à la bibliographie ». Cliquez sur ce bouton, et nous générerons automatiquement la référence bibliographique pour la source choisie selon votre style de citation préféré : APA, MLA, Harvard, Vancouver, Chicago, etc.
Vous pouvez aussi télécharger le texte intégral de la publication scolaire au format pdf et consulter son résumé en ligne lorsque ces informations sont inclues dans les métadonnées.
Articles de revues sur le sujet "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 et S. M. Woodley. « Advances in computational studies of energy materials ». Philosophical Transactions of the Royal Society A : Mathematical, Physical and Engineering Sciences 368, no 1923 (28 juillet 2010) : 3379–456. http://dx.doi.org/10.1098/rsta.2010.0111.
Texte intégralLi, Yafei, Zhen Zhou, Panwen Shen, S. B. Zhang et Zhongfang Chen. « Computational studies on hydrogen storage in aluminum nitride nanowires/tubes ». Nanotechnology 20, no 21 (6 mai 2009) : 215701. http://dx.doi.org/10.1088/0957-4484/20/21/215701.
Texte intégralGunawan, Rahmat, Cynthia Linaya Radiman, Muhamad Abdulkadir Martoprawiro et Hermawan K. Dipojono. « Graphite as A Hydrogen Storage in Fuel Cell System : Computational Material Study for Renewable Energy ». Jurnal ILMU DASAR 17, no 2 (1 février 2017) : 103. http://dx.doi.org/10.19184/jid.v17i2.3499.
Texte intégralRavindran, P., P. Vajeeston, H. Fjellvåg et A. Kjekshus. « Chemical-bonding and high-pressure studies on hydrogen-storage materials ». Computational Materials Science 30, no 3-4 (août 2004) : 349–57. http://dx.doi.org/10.1016/j.commatsci.2004.02.025.
Texte intégralHudiyanti, Dwi, Noor Ichsan Hamidi, Daru Seto Bagus Anugrah, Siti Nur Milatus Salimah et Parsaoran Siahaan. « Encapsulation of Vitamin C in Sesame Liposomes : Computational and Experimental Studies ». Open Chemistry 17, no 1 (24 août 2019) : 537–43. http://dx.doi.org/10.1515/chem-2019-0061.
Texte intégralXie, Xin, Xushan Zhao et Jiangfeng Song. « A High-Throughput Computational Study on the Stability of Ni- and Ti-Doped Zr2Fe Alloys ». Energies 15, no 7 (22 mars 2022) : 2310. http://dx.doi.org/10.3390/en15072310.
Texte intégralYang, Seung Jae, Jung Hyun Cho, Kunsil Lee, Taehoon Kim et 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, no 22 (23 novembre 2010) : 6138–45. http://dx.doi.org/10.1021/cm101943e.
Texte intégralMehboob, Muhammad Yasir, Riaz Hussain, Zobia Irshad, Ume Farwa, Muhammad Adnan et 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, no 07 (7 octobre 2021) : 687–705. http://dx.doi.org/10.1142/s2737416521500411.
Texte intégralLiu, Xingbo, Hanchen Tian et Wenyuan Li. « (Invited) Proton‐Conducting Solid Oxide Electrolysis Cells for Hydrogen Production - Materials Design and Catalyst Surface Engineering ». ECS Meeting Abstracts MA2022-02, no 49 (9 octobre 2022) : 1907. http://dx.doi.org/10.1149/ma2022-02491907mtgabs.
Texte intégralSunkara, Mahendra Kumar. « Plasma-molten Metal and/or Liquid Interactions for Materials/Chemical Processing ». ECS Meeting Abstracts MA2020-01, no 17 (1 mai 2020) : 1106. http://dx.doi.org/10.1149/ma2020-01171106mtgabs.
Texte intégralThèses sur le sujet "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.
Texte intégralFelaktigt 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.
Texte intégralIncludes 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.
Texte intégralKelkar, 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.
Texte intégralMa, Zhu. « First-principles study of hydrogen storage materials ». Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/22672.
Texte intégralCommittee 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.
Texte intégralMartin, Gregory Stephen Bernard. « Solid-state nuclear magnetic resonance studies of hydrogen storage materials ». Thesis, University of Nottingham, 2014. http://eprints.nottingham.ac.uk/14108/.
Texte intégralMoss, Jared B. « Computational and Experimental Studies on Energy Storage Materials and Electrocatalysts ». DigitalCommons@USU, 2019. https://digitalcommons.usu.edu/etd/7537.
Texte intégralHussain, 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.
Texte intégralKnick, 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.
Texte intégralLivres sur le sujet "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.
Trouver le texte intégralYartys, Volodymyr, Yuriy Solonin et Ihor Zavaliy. HYDROGEN BASED ENERGY STORAGE : STATUS AND RECENT DEVELOPMENTS. Institute for Problems in Materials Science, 2021. http://dx.doi.org/10.15407/materials2021.
Texte intégralNarlikar, A. V., et Y. Y. Fu, dir. Oxford Handbook of Nanoscience and Technology. Oxford University Press, 2017. http://dx.doi.org/10.1093/oxfordhb/9780199533060.001.0001.
Texte intégralChapitres de livres sur le sujet "Hydrogen Storage Materials - Computational Studies"
Le, Viet-Duc, et Yong-Hyun Kim. « Energy Storage : Hydrogen ». Dans Computational Approaches to Energy Materials, 131–48. Oxford, UK : John Wiley & Sons Ltd, 2013. http://dx.doi.org/10.1002/9781118551462.ch5.
Texte intégralMajzoub, Eric H. « Computational Discovery of Hydrogen Storage Compounds ». Dans Computational Studies of New Materials II, 481–502. WORLD SCIENTIFIC, 2011. http://dx.doi.org/10.1142/9789814287197_0018.
Texte intégralMiwa, Kazutoshi. « Computational Materials Design for Hydrogen Storage ». Dans Multiscale Simulations for Electrochemical Devices, 1–23. Jenny Stanford Publishing, 2020. http://dx.doi.org/10.1201/9780429295454-1.
Texte intégralKlein, R. A., H. A. Evans, B. A. Trump, T. J. Udovic et C. M. Brown. « Neutron scattering studies of materials for hydrogen storage ». Dans Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier, 2021. http://dx.doi.org/10.1016/b978-0-12-823144-9.00028-5.
Texte intégralDornheim, Martin. « Thermodynamics of Metal Hydrides : Tailoring Reaction Enthalpies of Hydrogen Storage Materials ». Dans Thermodynamics - Interaction Studies - Solids, Liquids and Gases. InTech, 2011. http://dx.doi.org/10.5772/21662.
Texte intégralWalker, G., Mohamed Bououdina, Z. X. Guo et D. Fruchart. « Overview on Hydrogen Absorbing Materials ». Dans 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.
Texte intégralMaiyelvaganan, K. R., M. Janani, K. Gopalsamy, M. K. Ravva, M. Prakash et V. Subramanian. « Studies on hydrogen storage in molecules, cages, clusters, and materials : A DFT study ». Dans 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.
Texte intégralPradhan, Renuka, et Upakarasamy Lourderaj. « Computational Studies on the Excited-State Intramolecular Proton Transfer in Five-Membered-Ring Hydrogen-Bonded Systems ». Dans Hydrogen-Bonding Research in Photochemistry, Photobiology, and Optoelectronic Materials, 155–78. WORLD SCIENTIFIC (EUROPE), 2019. http://dx.doi.org/10.1142/9781786346087_0007.
Texte intégralYeetsorn, Rungsima, et Yaowaret Maiket. « Hydrogen Fuel Cell Implementation for the Transportation Sector ». Dans Hydrogen Implementation in Transportation Sector [Working Title]. IntechOpen, 2020. http://dx.doi.org/10.5772/intechopen.95291.
Texte intégralActes de conférences sur le sujet "Hydrogen Storage Materials - Computational Studies"
Hormaza Mejia, Nohora A., et Jack Brouwer. « Gaseous Fuel Leakage From Natural Gas Infrastructure ». Dans ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-88271.
Texte intégralAvila, Raudel O., Md S. Islam et Pavana Prabhakar. « Thermal Gradient on Hybrid Composite Propellant Tank Materials at Cryogenic Temperatures ». Dans ASME 2016 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/imece2016-65727.
Texte intégralHe, Siyi. « Computational research method of nanostructured hydrogen storage materials ». Dans International Conference on Sustainable Technology and Management (ICSTM 2022), sous la direction de Xilong Qu. SPIE, 2022. http://dx.doi.org/10.1117/12.2644688.
Texte intégralSmith, Sheriden, et Young Ho Park. « Hydrogen Storage Using Carbon Nanostructures ». Dans ASME 2015 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/pvp2015-45019.
Texte intégralOjwang’, J. G. O., Rutger van Santen, Gert Jan Kramer, Adri C. T. van Duin, William A. Goddard, Theodore E. Simos, George Maroulis, George Psihoyios et Ch Tsitouras. « Modeling of Hydrogen Storage Materials : A Reactive Force Field for NaH ». Dans 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.
Texte intégralPark, Y. H., et I. Hijazi. « EAM Potential for Hydrogen Storage Application ». Dans ASME 2017 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/pvp2017-65845.
Texte intégralPourpoint, Timothe´e L., Aaron Sisto, Kyle C. Smith, Tyler G. Voskuilen, Milan K. Visaria, Yuan Zheng et Timothy S. Fisher. « Performance of Thermal Enhancement Materials in High Pressure Metal Hydride Storage Systems ». Dans 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.
Texte intégralTamburello, David, Bruce Hardy, Claudio Corgnale, Martin Sulic et Donald Anton. « Cryo-Adsorbent Hydrogen Storage Systems for Fuel Cell Vehicles ». Dans ASME 2017 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/fedsm2017-69411.
Texte intégralTamburello, David, Bruce Hardy, Martin Sulic, Matthew Kesterson, Claudio Corgnale et Donald Anton. « Compact Cryo-Adsorbent Hydrogen Storage Systems for Fuel Cell Vehicles ». Dans 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.
Texte intégralRiahi, Adil, Sara Algurab, Marcel Otto, Erik Fernandez, Jayanta Kapat, Joshua Schmitt et Swati Saxena. « Numerical Performance Study of Adsorption Based Hydrogen Storage System in Silica Aerogel ». Dans ASME Turbo Expo 2022 : Turbomachinery Technical Conference and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/gt2022-82711.
Texte intégralRapports d'organisations sur le sujet "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), mai 2013. http://dx.doi.org/10.2172/1079211.
Texte intégral