Special Issue "Metal-Organic Frameworks (MOFs): Energy and Informatics"

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A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (30 November 2014)

Special Issue Editors

Guest Editor
Prof. Dr. Laura M. Bartolo

Center for Materials Informatics Kent State University Kent, Ohio 44242-0001 USA
Website | E-Mail
Phone: +1 330 672 1691
Fax: +1 330 672 2938
Interests: scientific materials research and learning information management and dissemination; multidisciplinary scientific research repositories; human and automated scientific metadata generation; scientific information classification and thesaurus; electronic scientific communication
Guest Editor
Dr. Lan Li

Department of Materials Science & Engineering Boise State University Boise, ID, USA
Website | E-Mail
Interests: development of materials-by-design for energy and gas separation applications; fundamental studies of magnetism; transport and quantum phenomena in nanoscaled materials; development of multi-scale modeling techniques

Special Issue Information

Dear Colleagues,

Metal-Organic-Frameworks (MOFs) have generated considerable interest for the use of MOFs as a way of tackling a large class of difficult energy problems. At the same time, significant informatics challenges exist in accurately describing and organizing MOFs in order to identify the most effective materials with the properties required for particular applications. Given the broad reach of Metal-Organic-Frameworks, the scope of this special issue of Crystals on MOFs will concentrate on these two areas of current and complementary importance: energy and informatics. IUPAC has published the recommendations for terminology relating to MOFs (http://pac.iupac.org/publications/pac/pdf/2013/pdf/8508x1715.pdf)

Authors are invited to submit manuscripts on any topic associated with Metal-Organic-Frameworks (MOFs) where the use of MOFs related to energy or informatics is changing our understanding of MOFs. We are soliciting contributions that go beyond simply applying standard approaches connected with energy or informatics to Metal-Organic-Frameworks, but rather use the MOFs as well as informatics tools to bring about new ways of looking at the energy problem. For the energy focus of the special issue we invite research on computational and experimental approaches investigating MOFs’ potential in viable clean energy applications, given their intrinsic features of high porosity, large internal surface areas and variability of components of their structures. For the informatics emphasis, we solicit research on tools, algorithms, databases involving the organization, classification, and retrieval of MOF data for improved design and prediction, complementary to energy research.

Prof. Laura M. Bartolo
Dr. Lan Li
Guest Editors

Submission

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are refereed through a peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed Open Access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 800 CHF (Swiss Francs).

Keywords

  • metal-organic frameworks (MOFs)
  • energy
  • carbon dioxide management
  • materials informatics
  • taxonomies

Published Papers (2 papers)

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Research

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Open AccessArticle Synthesis of Framework Isomer MOFs Containing Zinc and 4-Tetrazolyl Benzenecarboxylic Acid via a Structure Directing Solvothermal Approach
Crystals 2015, 5(2), 193-205; doi:10.3390/cryst5020193
Received: 29 November 2014 / Revised: 9 February 2015 / Accepted: 16 February 2015 / Published: 2 April 2015
Cited by 2 | PDF Full-text (639 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
The solvothermal synthesis of framework isomers was carried out using the hybrid carboxylate and tetrazolate functional ligand, 4-tetrazolyl benzenecarboxylic acid (H2TBC, TBC = 4-tetrazolyl benzenecarboxylate) and zinc. H2TBC was also synthesized with the solvothermal approach, and is referred herein
[...] Read more.
The solvothermal synthesis of framework isomers was carried out using the hybrid carboxylate and tetrazolate functional ligand, 4-tetrazolyl benzenecarboxylic acid (H2TBC, TBC = 4-tetrazolyl benzenecarboxylate) and zinc. H2TBC was also synthesized with the solvothermal approach, and is referred herein as structure 1. Using single-crystal X-ray diffraction, we found that the tetrazolate groups of TBC show an unusual “opposite-on” coordination mode with zinc. Three previously characterized metal-organic frameworks (MOFs) were obtained by systematically changing the solvents of the H2TBC-Zn reaction, (1) ZnTBC, 2, which has a non-porous structure; (2) Zn2(TBC)2(H2O), 3, which has an amphiphilic pore structure and (3) Zn2(TBC)2{guest}, 4, which is porous and has channels containing uncoordinated N heteroatoms. Fluorescence spectra of 4 reveal a strong blue emission mainly from the TBC ligands. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks (MOFs): Energy and Informatics)
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Review

Jump to: Research

Open AccessReview Let’s Talk about MOFs—Topology and Terminology of Metal-Organic Frameworks and Why We Need Them
Crystals 2015, 5(1), 154-162; doi:10.3390/cryst5010154
Received: 30 November 2014 / Accepted: 7 February 2015 / Published: 16 February 2015
Cited by 5 | PDF Full-text (6904 KB) | HTML Full-text | XML Full-text
Abstract
Recent IUPAC (The International Union for Pure and Applied Chemistry) recommendations on the terminology of metal-organic frameworks are reviewed and the background to a proposed topology classification is discussed. The various numerical designators such as point symbols, vertex symbols and transitivity are also
[...] Read more.
Recent IUPAC (The International Union for Pure and Applied Chemistry) recommendations on the terminology of metal-organic frameworks are reviewed and the background to a proposed topology classification is discussed. The various numerical designators such as point symbols, vertex symbols and transitivity are also explained and their importance elucidated. Full article
(This article belongs to the Special Issue Metal-Organic Frameworks (MOFs): Energy and Informatics)
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