Results 11 to 20 of about 166,453 (198)

Electronic chemical potentials of porous metal-organic frameworks [PDF]

, 2014
The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal-organic frameworks this quantity is hitherto unknown.
Butler, Keith T., Hendon, Christopher H., Walsh, Aron   +2 more
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Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks [PDF]

, 2009
This critical review covers the application of computer simulations, including quantum calculations (ab initio and DFT), grand canonical Monte-Carlo simulations, and molecular dynamics simulations, to the burgeoning area of the hydrogen storage by metal ...
Goddard, William A., III, Han, Sang Soo, Mendoza-Cortés, José L.   +2 more
core   +1 more source

Postsynthetic modification of zirconium metal-organic frameworks [PDF]

, 2016
Metal-organic frameworks (MOFs) have been in the spotlight for a number of years due to their chemical and topological versatility. As MOF research has progressed, highly functionalised materials have become desirable for specific applications, and in ...
Forgan, Ross S., Marshall, Ross J.
core   +1 more source

An Ising Model for Metal-Organic Frameworks [PDF]

, 2017
We present a three-dimensional Ising model where lines of equal spins are frozen in such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins).
Horbach, Jürgen, Höft, Nicolas, Martin-Mayor, Victor, Seoane, Beatriz   +3 more
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Application of metal − organic frameworks [PDF]

, 2017
The burgeoning field of metal-organic frameworks or porous coordination polymers has received increasing interest in recent years. In the last decade these microporous materials have found several applications including storage and separation of gases ...
Agostoni, Ahmed, Ahmed, Al-Kutubi, Alaerts, Alezi, Amirjalayer, An, Aslani, Babarao, Babazadeh, Bai, Baima, Bauer, Beyzavi, Bharadwaj, Binnemans, Biswas, Bradshaw, Bromberg, Burd, Burrows, Bux, Caskey, Cavka, Chaikittisilp, Chandler, Choi, Chugtai, Chui, Cui, Cui, Cunha, Cychosz, D'Vries, Dan-Hardi, Devic, Dey, Dincă, Distefano, Eddaoudi, Eremenko, Falcaro, Fang, Ferey, Ferey, Fernandez, Fischer, Fischer, Friscis, Friscis, Fujita, Furukawa, Furukawa, Furukawa, Férey, Férey, Férey, Gagnon, Gascon, Goldsmith, Guillou, Gándara, Habib, Hajjar, Han, Han, Hasan, Hasan, Hedegaard, Henschel, Hindelang, Horcajada, Horcajada, Horcajada, Horcajada, Hu, Huang, Huxford, Isimjan, Janiak, Janiak, Jeazet, Jia, Jiang, Jiang, Jiang, Jing, Jun, Jung, Kar, Karmakar, Katz, Keskin, Khan, Khan, Khan, Khatua, Kitagawa, Kitagawa, Kitagawa, Kitao, Klimakow, Koh, Koh, Kumar, Kuppler, Kurmoo, Kurmoo, Lai, Lan, Lee, Lei, Li, Li, Li, Li, Li, Li, Li, Liang, Lim, Lin, Liu, Liu, Liu, Liu, Liu, Liu, Llabrés i Xamena, Luz, Ma, Ma, Majumder, Marchetti, Marchetti, Martinez Joaristi, Matthes, McGuire, McKinlay, Miller, Millward, Miralda, Moon, Morris, Murray, Murray, Murray, Nalaparaju, Narayan, Nguyenn, Ngyen, Ni, Ni, Noro, O'Neill, Odoh, Pan, Panapitiya, Park, Parkes, Peng, Peng, Perez, Phan, Phan, Pramanik, Qiu, Ravilious, Ravon, Rieter, Rieter, Röslera, Saedi, Saito, Saravanan, Sava Gallis, Schaate, Seo, Serre, Shustova, Sim, Stock, Suh, Sun, Sánchez-Sánchez, Tabacaru, Tabacaru, Takaishi, Talin, Taylor-Pashow, Tiana, Timofeeva, Timokhin, Tonigold, Tranchemontagne, Tuci, Uemura, Uemura, Valenzano, Vermoortele, Voordde, Wang, Wang, Wang, Wang, Wickenheisser, Wong-Foy, Wu, Wu, Wu, Wu, Xiao, Xu, Yaghi, Yaghi, Yaghi, Yaghi, Yaghi, Yanai, Yang, Yao, Yuan, Zhang, Zhang, Zhang, Zhang, Zhang, Zhao, Zhao, Zhao, Zhu, Zhu, Zou   +233 more
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Solar Air Conditioning with Metal Organic Frameworks [PDF]

, 2020
Air conditioning is responsible for 5% of energy consumption in the United States as is increasingly in demand across the world as the global middle class continues to grow in size. During hotter months, electricity used to power cooling systems becomes
Staschiak, James
core  

Metal Substitution as the Method of Modifying Electronic Structure of Metal-Organic Frameworks. [PDF]

, 2019
Targeted modification of electronic structure is an important step in the optimization of metal-organic frameworks (MOFs) for photovoltaic, sensing, and photocatalytic applications.
Ebrahim, Fatmah Mish, Ireland, Christopher Patrick, Smit, Berend, Syzgantseva, Maria A, Syzgantseva, Olga A   +4 more
core   +2 more sources

Image-guided therapy using maghemite-MOF nanovectors [PDF]

, 2017
Advances in nanotechnology offer the possibility of tailored delivery of therapeutics with real-time imaging of disease. In this issue of Chem, Steunou and co-workers amalgamate the powerful MRI properties of ultra-small paramagnetic iron oxides with the
Abánades Lázaro, Isabel, Forgan, Ross F.   +1 more
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Dynamic interplay between defective UiO‐66 and protic solvents in activated processes [PDF]

, 2019
UiO-66, composed by Zr-oxide inorganic bricks [Zr-6(mu(3)-O)(4)(mu(3)-OH)(4)] and organic terephthalate linkers, is one of the most studied metal-organic frameworks (MOFs) due to its exceptional thermal, chemical, and mechanical stability.
Caratelli, Chiara, Hajek, Julianna, Meijer, Evert Jan, Van Speybroeck, Veronique, Waroquier, Michel   +4 more
core   +2 more sources

Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure [PDF]

, 2018
Lanthanide-based metal organic frameworks show very limited stabilities, which impedes their use in applications exploiting their extraordinary electronic properties, such as luminescence and photocatalysis.
De Vos, Arthur, Hendrickx, Kevin, Joos, Jonas, Lejaeghere, Kurt, Poelman, Dirk, Smet, Philippe, Van Der Voort, Pascal, Van Speybroeck, Veronique   +7 more
core   +2 more sources