Structures and properties of ionic crystals and condensed phase ionic liquids predicted with the generalized energy‐based fragmentation method
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26828
Abstract: The generalized energy‐based fragmentation (GEBF) approach is extended to facilitate ab initio investigations of structures, lattice energies, vibrational spectra and 1H NMR chemical shifts of ionic crystals and condensed‐phase ionic liquids (ILs) with the periodic… read more here.
Keywords: pbc gebf; ionic crystals; gebf approach; condensed phase ... See more keywords
Classical infrared spectra of ionic crystals and their relevance for statistical mechanics
Sign Up to like & getrecommendations! Published in 2018 at "Physica A: Statistical Mechanics and its Applications"
DOI: 10.1016/j.physa.2018.04.070
Abstract: It was recently shown that the experimental infrared spectra of ionic crystals at room temperature are very well reproduced by classical realistic models, and here new results are reported on the temperature dependence of the… read more here.
Keywords: temperature; statistical mechanics; ionic crystals; infrared spectra ... See more keywords
Quadruple Anticounterfeiting Encryption: Anion-Modulated Forward and Reverse Excitation-Dependent Multicolor Afterglow in Two-Component Ionic Crystals.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c08379
Abstract: Molecule-based afterglow materials with ultralong-lived excited states have attracted great attention owing to their unique applications in light-emitting devices, information storage, and anticounterfeiting. Herein, a series of new types of two-component ionic crystalline materials were… read more here.
Keywords: excitation; anion modulated; ionic crystals; two component ... See more keywords
Iodine induced 1-D lamellar self assembly in organic ionic crystals for solid state dye sensitized solar cells.
Sign Up to like & getrecommendations! Published in 2017 at "Nanoscale"
DOI: 10.1039/c7nr06128e
Abstract: A novel saturated heterocyclic organic ionic crystal, piperidinium iodide (PiHI), is synthesized by a facile route and applied as a solid electrolyte in Dye Sensitized Solar Cells (ss-DSSCs). Upon addition of a small quantity of… read more here.
Keywords: dye sensitized; sensitized solar; organic ionic; ionic crystals ... See more keywords
Organic–inorganic ionic co-crystals: a new class of multipurpose compounds
Sign Up to like & getrecommendations! Published in 2018 at "CrystEngComm"
DOI: 10.1039/c8ce00304a
Abstract: In this highlight, the reasons for the widespread interest generated by ionic co-crystals, namely those formed by a neutral molecule and a salt, are addressed. In particular, the class of compounds obtained by co-crystallization of… read more here.
Keywords: new class; inorganic ionic; crystals new; organic inorganic ... See more keywords
Isostructural mesoporous ionic crystals as a tunable platform for acid catalysis.
Sign Up to like & getrecommendations! Published in 2020 at "Dalton transactions"
DOI: 10.1039/d0dt01202e
Abstract: Eleven isostructural mesoporous ionic crystals (meso-PICs) are synthesized. The initial activities of the Barbier-Grignard reaction, which is a typical C-C bond formation reaction, catalyzed by the meso-PICs are dependent on the acid dissociation constant of… read more here.
Keywords: isostructural mesoporous; ionic crystals; meso pics; mesoporous ionic ... See more keywords
Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.
Sign Up to like & getrecommendations! Published in 2021 at "Nanoscale"
DOI: 10.1039/d1nr04762k
Abstract: Polyoxometalates (POMs) are oxide cluster anions composed of high-valence early transition metals and are widely used as catalysts. Yet base catalysis of POMs remains an ongoing challenge; group V (V, Nb, and Ta) elements form… read more here.
Keywords: porous ionic; basic polyoxometalate; ionic crystals; reaction ... See more keywords
Basicity of isostructural porous ionic crystals composed of Nb/Ta-substituted Keggin-type polyoxotungstates.
Sign Up to like & getrecommendations! Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt00478j
Abstract: Three isostructural porous ionic crystals (PICs) based on Keggin-type POMs with different compositions but equal negative charge ([BW12O40]5- (BW12), [SiW11NbO40]5- (SiW11Nb), and [SiW11TaO40]5- (SiW11Ta)) are synthesized. Experimental and theoretical characterizations of the three PICs (1_BW12,… read more here.
Keywords: basicity isostructural; crystals composed; ionic crystals; keggin type ... See more keywords
Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: inravelling the role of alkyl-chain length.
Sign Up to like & getrecommendations! Published in 2023 at "Soft matter"
DOI: 10.1039/d3sm00040k
Abstract: The present study has been undertaken with an aim to design and develop safer and more efficient all solid-state electrolytes, so that the issues associated with the use of conventional room temperature ionic liquid-based electrolytes… read more here.
Keywords: ionic crystals; organic ionic; alkyl; role ... See more keywords
A shear pan mill for preparation of ultrafine polyamide 66 powder using sodium sulfate ionic crystals as grinding aid
Sign Up to like & getrecommendations! Published in 2017 at "Materials and Manufacturing Processes"
DOI: 10.1080/10426914.2016.1221080
Abstract: ABSTRACT Fine polyamide 66 (PA66) powder was prepared in a shear pan mill that was designed and developed in our laboratories. In contrast with discontinuous impacts in the ball mill, the size reduction operation in… read more here.
Keywords: pan mill; powder; ionic crystals; grinding aid ... See more keywords