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Celebrating 150th Birthday of the Periodic Table – Foundation of Chemical Trends

A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: closed (31 December 2019) | Viewed by 7050

Special Issue Editors


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Guest Editor
1. Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA
2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter (FJIRSM), Chinese Academy of Sciences (CAS), Fuzhou 350002, China
3. State key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
Interests: solid state chemistry; materials chemistry; condensed matter physics; magnetic properties; optical properties; superconductivity; electronic band structure calculations; structure-property correlations
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany
Interests: materials chemistry; inorganic chemistry; solid-state chemistry; X-ray diffraction; superconductors; material characterization; DFT calculations; crystal structure; synthesis; perovskites; oxides; fluorides; crystallography

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Guest Editor
Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany
Interests: metal–metal bonding with main group, d- and f-metals; development of structural concepts and the search for new materials; metal-rich compounds of transition metals; reduced rare earth metal compounds; silicide halides of the rare earth metals; alkali and alkaline earth metal suboxides and subnitrides; chemical view on superconductivity

Special Issue Information

Dear Colleagues,

Formulated in 1869, Mendeleev’s Periodic Table of Elements based on atomic weights paved the way for the reformulation of atomic numbers. Subsequently, the periods and groups in the Periodic Table were explained by the shell structures of atoms through the newly developed quantum theory of atoms. Over the past 150 years, research on the electronegativity, oxidation states, and polarizability of elements as well as the chemical bonding between elements has been combined with the Periodic Table to allow the interpretation and classification of a vast number of physical and chemical properties of elements, discrete molecules, and condensed matter. This Special Issue will highlight some of these developments in celebration of the 150th birthday of Medeleev’s Periodic Table of Elements.

Prof. Dr. Myung-Hwan Whangbo
Prof. Dr. Jürgen Köhler
Prof. Dr. Arndt Simon
Guest Editors

Manuscript Submission Information

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. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short 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 thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly 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 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Periodic Table
  • electronegativity
  • oxidation state
  • polarizability
  • chemical bonding

Published Papers (2 papers)

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Research

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9 pages, 2005 KiB  
Article
Electronic Structure and Lithium Diffusion in LiAl2(OH)6Cl Studied by First Principle Calculations
by Yueping Zhang, Xiyue Cheng, Chen Wu, Jürgen Köhler and Shuiquan Deng
Molecules 2019, 24(14), 2667; https://doi.org/10.3390/molecules24142667 - 23 Jul 2019
Cited by 11 | Viewed by 3511
Abstract
First-principles calculations based on the density functional theory (DFT) were carried out to study the atomic structure and electronic structure of LiAl2(OH)6Cl, the only material in the layered double hydroxide family in which delithiation was found to occur. Ab [...] Read more.
First-principles calculations based on the density functional theory (DFT) were carried out to study the atomic structure and electronic structure of LiAl2(OH)6Cl, the only material in the layered double hydroxide family in which delithiation was found to occur. Ab initio molecular dynamics (AIMD) simulations were used to explore the evolution of the structure of LiAl2(OH)6Cl during a thermally induced delithiation process. The simulations show that this process occurs due to the drastic dynamics of Li+ at temperatures higher than ~450 K, in which the [Al2(OH)6] host layers remain stable up to 1100 K. The calculated large value of the Li+ diffusion coefficient D, ~ 3.13 × 10 5 c m 2 / s , at 500 K and the high stability of the [Al2(OH)6] framework suggest a potential technical application of the partially-delithiated Li1-xAl2(OH)6Cl1-x (0 < x < 1) as a superionic conductor at high temperatures. Full article
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Review

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21 pages, 5510 KiB  
Review
Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of Their Constituent Atoms
by Paul A. Maggard, Xiyue Cheng, Shuiquan Deng and Myung-Hwan Whangbo
Molecules 2020, 25(4), 867; https://doi.org/10.3390/molecules25040867 - 16 Feb 2020
Cited by 1 | Viewed by 3105
Abstract
The onsite repulsion, spin–orbit coupling and polarizability of elements and their ions play important roles in controlling the physical properties of molecules and condensed materials. In celebration of the 150th birthday of the periodic table this year, we briefly review how these parameters [...] Read more.
The onsite repulsion, spin–orbit coupling and polarizability of elements and their ions play important roles in controlling the physical properties of molecules and condensed materials. In celebration of the 150th birthday of the periodic table this year, we briefly review how these parameters affect the physical properties and are interrelated. Full article
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