NDLI: On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides

Please wait, while we are loading the content...

Year: 2017 Volume: 23

Year: 2016 Volume: 22

Year: 2015 Volume: 21

Year: 2015 Volume: 21 Issue: 52

Year: 2015 Volume: 21 Issue: 51

Year: 2015 Volume: 21 Issue: 50

Year: 2015 Volume: 21 Issue: 49

Year: 2015 Volume: 21 Issue: 48

Year: 2015 Volume: 21 Issue: 47

Year: 2015 Volume: 21 Issue: 46

Recent Advances on the Total Syntheses of Communesin Alkaloids and Perophoramidine

General Route to Cyclobutadiene Rhodium Complexes

Preparation, Structural Determination, and Characterization of Electronic Properties of Bis-Silylated and Bis-Germylated $Lu_{3}N@I_{h}-C_{80}$

Conformational Flexibility in the Transmembrane Protein $TSPO^{†}$

Photochemical Synthesis of Complex Carbazoles: Evaluation of Electronic Effects in Both UV- and Visible-Light Methods in Continuous Flow

Solvent-Mediated Transformation from Achiral to Chiral Nickel(II) Metal–Organic Frameworks and Reassembly in Solution

Dual Esterase- and Steroid-Responsive Energy Transfer Modulation of Ruthenium(II) and Rhenium(I) Complex Functionalized Gold Nanoparticles

On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides

Structurally Diverse π-Extended Conjugated Polycarbo- and Heterocycles through Pd-Catalyzed Autotandem Cascades

Large Hexadecametallic $\{Mn^{III}–Ln^{III}\}$ Wheels: Synthesis, Structural, Magnetic, and Theoretical Characterization

EPR Studies of the Binding Properties, Guest Dynamics, and Inner-Space Dimensions of a Water-Soluble Resorcinarene Capsule

Molecular Cobalt Clusters as Precursors of Distinct Active Species in Electrochemical, Photochemical, and Photoelectrochemical Water Oxidation Reactions in Phosphate Electrolytes

Human Serum Albumin Conjugated Nanoparticles for pH and Redox-Responsive Delivery of a Prodrug of Cisplatin

Three-Dimensional Nitrogen-Doped Reduced Graphene Oxide–Carbon Nanotubes Architecture Supporting Ultrafine Palladium Nanoparticles for Highly Efficient Methanol Electrooxidation

Chiral Dawson-Type Hybrid Polyoxometalate Catalyzes Enantioselective Diels–Alder Reactions

Native Mannose-Dominant Extraction by Pyridine–Phenol Alternating Oligomers Having an Extremely Efficient Repeating Motif of Hydrogen-Bonding Acceptors and Donors

Iridicycle-Catalysed Imine Reduction: An Experimental and Computational Study of the Mechanism

Stereo- and Chemodivergent NHC-Promoted Functionalisation of Arylalkylketenes with $Chloral^{**}$

Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry

Palladium-Catalyzed Carbonylative Cyclization of Arenes by CH Bond Activation with DMF as the Carbonyl Source

Synthesis, Properties, and π-Dimer Formation of Oligothiophenes Partially Bearing Orthogonally Fused Fluorene Units

State of Supported Nickel Nanoparticles during Catalysis in Aqueous Media

A Cationic MOF with High Uptake and Selectivity for $CO_{2}$ due to Multiple $CO_{2}-Philic$ Sites

Thermochromism of $Cu^{I}$ Tetrakisguanidine Complexes: Reversible Activation of Metal-to-Ligand Charge-Transfer Bands

Light-Controlled Histone Deacetylase (HDAC) Inhibitors: Towards Photopharmacological Chemotherapy

Glyconanomaterials for Combating Bacterial Infections

A Programmed DNA Marker Based on Bis(4-ethynyl-1,8-naphthalimide) and Three-Methane-Bridged Thiazole Orange

Exploration of the Chiral Recognition of Sugar-Based Diindolylmethane Receptors: Anion and Receptor Structures

Design, Synthesis, and Conformational Analysis of Proposed β-Turn Mimics from Isoxazoline-Cyclopentane Aminols

Highly Regioselective Palladium-Catalyzed Carboxylation of Allylic Alcohols with $CO_{2}$

Turn-On Ratiometric Fluorescent Probe for Selective Discrimination of $Cr^{3+}$ from $Fe^{3+}$ in Aqueous Media for Living Cell Imaging

Ex-Situ Kinetic Investigations of the Formation of the Poly-Oxo Cluster $U_{38}$

Cationic Cobalt(III)-Catalyzed Aryl and Alkenyl CH Amidation: A Mild Protocol for the Modification of Purine Derivatives

Interpenetration of a 3D Icosahedral $M@Ni_{12}$ (M=Al, Ga) Framework with Porphyrin-Reminiscent Boron Layers in $MNi_{9}B_{8}$

Fluorescence Polarization Based Nucleic Acid Testing for Rapid and Cost-Effective Diagnosis of Infectious Disease

Influence of the Homopolar Dihydrogen Bonding CH⋅⋅⋅HC on Coordination Geometry: Experimental and Theoretical Studies

Reactivity of the Donor-Stabilized Silylenes $[iPrNC(Ph)NiPr]_{2}Si$ and $[iPrNC(NiPr_{2})NiPr]_{2}Si:$ Activation of $CO_{2}$ and $CS_{2}$

Total Synthesis and Configurational Assignment of Ascospiroketal A

Minimizing Aryloxy Elimination in $Rh^{I}-Catalyzed$ Asymmetric Hydrogenation of β-Aryloxyacrylic Acids using a Mixed-Ligand Strategy

Total Synthesis of (−)-Isoschizogamine

Polyfluorides and Neat Fluorine as Host Material in Matrix-Isolation Experiments

Facile Synthesis of Trisubstituted Carbazoles by Acid-Catalyzed Ring-Opening Annulation of 2-Amidodihydrofurans with Indoles

Total Synthesis of Codeine

Conjugated Polyelectrolyte-Induced Self-Assembly of Alkynylplatinum(II) 2,6-Bis(benzimidazol-2′-yl)pyridine Complexes

Polyaniline-Induced CH Arylation of Arenes with Arenediazonium Salts

Preparation, Structural Determination, and Characterization of Electronic Properties of Bis-silylated and Bis-germylated $Lu_{3}N@I_{h}-C_{80}$

A Straightforward Route to Potent Phenolic Chain-Breaking Antioxidants by Acid-Promoted Transposition of 1,4-Benzo[b]oxathiines to Dihydrobenzo[b]thiophenes

Electrochemical Fluorographane: Hybrid Electrocatalysis of Biomarkers, Hydrogen Evolution, and Oxygen Reduction

Different Complexation Behavior of P-Functionalized Ferrocene Derivatives Towards $SnCl_{2},$ $SnCl_{4}$ and $SnPh_{2}Cl_{2}:$ Auto-ionization and Redox-Type Reactions

Corrigendum: Total Synthesis of Antitumor Antibiotic Derhodinosylurdamycin A.

Efficient Automated Solid-Phase Synthesis of DNA and RNA 5′-Triphosphates

Year: 2015 Volume: 21 Issue: 45

Year: 2015 Volume: 21 Issue: 44

Year: 2015 Volume: 21 Issue: 43

Year: 2015 Volume: 21 Issue: 42

Year: 2015 Volume: 21 Issue: 41

Year: 2015 Volume: 21 Issue: 40

Year: 2015 Volume: 21 Issue: 39

Year: 2015 Volume: 21 Issue: 38

Year: 2015 Volume: 21 Issue: 37

Year: 2015 Volume: 21 Issue: 36

Year: 2015 Volume: 21 Issue: 35

Year: 2015 Volume: 21 Issue: 34

Year: 2015 Volume: 21 Issue: 33

Year: 2015 Volume: 21 Issue: 32

Year: 2015 Volume: 21 Issue: 31

Year: 2015 Volume: 21 Issue: 30

Year: 2015 Volume: 21 Issue: 29

Year: 2015 Volume: 21 Issue: 28

Year: 2015 Volume: 21 Issue: 27

Year: 2015 Volume: 21 Issue: 26

Year: 2015 Volume: 21 Issue: 25

Year: 2015 Volume: 21 Issue: 24

Year: 2015 Volume: 21 Issue: 23

Year: 2015 Volume: 21 Issue: 22

Year: 2015 Volume: 21 Issue: 21

Year: 2015 Volume: 21 Issue: 20

Year: 2015 Volume: 21 Issue: 19

Year: 2015 Volume: 21 Issue: 18

Year: 2015 Volume: 21 Issue: 17

Year: 2015 Volume: 21 Issue: 16

Year: 2015 Volume: 21 Issue: 15

Year: 2015 Volume: 21 Issue: 14

Year: 2015 Volume: 21 Issue: 13

Year: 2015 Volume: 21 Issue: 12

Year: 2015 Volume: 21 Issue: 11

Year: 2015 Volume: 21 Issue: 10

Year: 2015 Volume: 21 Issue: 9

Year: 2015 Volume: 21 Issue: 8

Year: 2015 Volume: 21 Issue: 7

Year: 2015 Volume: 21 Issue: 6

Year: 2015 Volume: 21 Issue: 5

Year: 2015 Volume: 21 Issue: 4

Year: 2015 Volume: 21 Issue: 3

Year: 2015 Volume: 21 Issue: 2

Year: 2015 Volume: 21 Issue: 1

Year: 2014 Volume: 20

Year: 2013 Volume: 19

Year: 2012 Volume: 18

Year: 2011 Volume: 17

Year: 2010 Volume: 16

Year: 2009 Volume: 15

Year: 2008 Volume: 14

Year: 2007 Volume: 13

Year: 2006 Volume: 12

Year: 2005 Volume: 11

Year: 1997 Volume: 3

On the Way to New Possible Na-Ion Conductors: The Voronoi–Dirichlet Approach, Data Mining and Symmetry Considerations in Ternary Na Oxides

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Meutzner, Falk Münchgesang, Wolfram Blatov, Vladislav A. Leisegang, Tilmann Zschornak, Matthias Meyer, Dirk C. Kabanova, Natalya A.
Description	Author Affiliation: Meutzner F ( TU Bergakademie Freiberg, Institut für Experimentelle Physik, Leipziger Straße 23, 09596 Freiberg (Germany). falk.meutzner@physik.tu-freiberg.de.); Münchgesang W ( TU Bergakademie Freiberg, Institut für Experimentelle Physik, Leipziger Straße 23, 09596 Freiberg (Germany).); Kabanova NA ( Samara Center for Theoretical Materials Science (SCTMS), Samara State University, Ac. Pavlov Street 1, 443011 Samara (Russia).); Zschornak M ( Samara State Aerospace University named after academician S.P. Korolyev (National Research University), Moskovskoye Shosse 34, 443086 Samara (Russia).); Leisegang T ( TU Bergakademie Freiberg, Institut für Experimentelle Physik, Leipziger Straße 23, 09596 Freiberg (Germany).); Blatov VA ( TU Bergakademie Freiberg, Institut für Experimentelle Physik, Leipziger Straße 23, 09596 Freiberg (Germany).); Meyer DC ( Samara Center for Theoretical Materials Science (SCTMS), Samara State University, Ac. Pavlov Street 1, 443011 Samara (Russia).)
Abstract	With the constant growth of the lithium battery market and the introduction of electric vehicles and stationary energy storage solutions, the low abundance and high price of lithium will greatly impact its availability in the future. Thus, a diversification of electrochemical energy storage technologies based on other source materials is of great relevance. Sodium is energetically similar to lithium but cheaper and more abundant, which results in some already established stationary concepts, such as Na-S and ZEBRA cells. The most significant bottleneck for these technologies is to find effective solid ionic conductors. Thus, the goal of this work is to identify new ionic conductors for Na ions in ternary Na oxides. For this purpose, the Voronoi–Dirichlet approach has been applied to the Inorganic Crystal Structure Database and some new procedures are introduced to the algorithm implemented in the programme package ToposPro. The main new features are the use of data mined values, which are then used for the evaluation of void spaces, and a new method of channel size calculation. 52 compounds have been identified to be high-potential candidates for solid ionic conductors. The results were analysed from a crystallographic point of view in combination with phenomenological requirements for ionic conductors and intercalation hosts. Of the most promising candidates, previously reported compounds have also been successfully identified by using the employed algorithm, which shows the reliability of the method.
ISSN	09476539
e-ISSN	15213765
Journal	Chemistry - A European Journal
Issue Number	46
Volume Number	21
Language	English
Publisher	Wiley-VCH;ChemPubSoc Europe
Publisher Date	2015-11-09
Publisher Place	Germany
Access Restriction	Open
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Catalysis

Central Library (ISO-9001:2015 Certified)
Indian Institute of Technology Kharagpur
Kharagpur, West Bengal, India | PIN - 721302

See location in the Map
03222 282435
Mail: support@ndl.gov.in

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in