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Changes in the structural dimensionality of selenidostannates in ionic liquids: formation, structures, stability, and photoconductivity.

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TLDR
Photoconductivity measurements reveal that all samples show Schottky contact behavior with absolute thresholds below 10 V, and one of the samples exhibits conductive states within the energy range of visible photons.
Abstract
In situ transformations of selenidostannate frameworks in ionic liquids (ILs) were initiated by treatment of the starting phase K2[Sn2Se5] and the consecutive reaction products by means of temperature increase and/or amine addition. Along the reaction pathway, the framework dimensionalities of the five involved selenidostannate anions develop from 3D to 1D and back, both in top-down and bottom-up style. Addition of ethane-1,2-diamine (en) led to the reversion of the 2D→1D step from 2D-{[Sn24Se56]16−} to 1D-{[Sn6Se14]4−}. As rationalized by DFT investigations, the 2D anion is thermodynamically favored. Photoconductivity measurements reveal that all samples show Schottky contact behavior with absolute thresholds below 10 V. One of the samples exhibits conductive states within the energy range of visible photons.

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Citations
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Threading Chalcogenide Layers with Polymer Chains

TL;DR: Single crystals of polymer-chalcogenide composites were successfully prepared by trapping polyethyleneglycol within a selenidostannate matrix under surfactant-thermal conditions to provide a new strategy for preparing novel crystalline polymer-inorganic composites through encapsulating polymer chains within inorganic matrices.
Journal ArticleDOI

Controlled Synthesis of Polyions of Heavy Main-Group Elements in Ionic Liquids.

TL;DR: This review comprises decisive reaction parameters and techniques for the directed synthesis of polyions of heavy main-group elements (fourth period and beyond) in ILs.
Journal ArticleDOI

New strategies to prepare crystalline chalcogenides

TL;DR: In this article, the authors summarize the recent progress in growing crystalline chalcogenides through four new strategies: ionothermal, surfactant-thermal, hydrazine, and metal Zintl phase usage.
Journal ArticleDOI

Synthesis of Crystalline Chalcogenides in Ionic Liquids

TL;DR: This Review summarizes recent developments and presents a survey of different chalcogenide families along with their properties.
Journal ArticleDOI

Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties

TL;DR: The ionothermal synthesis of three discrete T4 cluster compounds, namely [Bmmim]5[(CH3)2NH2]4[NH4][M4In16S31(SH)4]·6H2O (M = Mn (1), Zn (2), Cd (3), Bmmim = 1-buty-2,3-dimethyl-imidazolium), and four discrete T5 cluster compounds is reported on.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

TL;DR: A new density functional of the generalized gradient approximation (GGA) type for general chemistry applications termed B97‐D is proposed, based on Becke's power‐series ansatz from 1997, and is explicitly parameterized by including damped atom‐pairwise dispersion corrections of the form C6 · R−6.
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Self-interaction correction to density-functional approximations for many-electron systems

TL;DR: In this paper, the self-interaction correction (SIC) of any density functional for the ground-state energy is discussed. But the exact density functional is strictly selfinteraction-free (i.e., orbitals demonstrably do not selfinteract), but many approximations to it, including the local spin-density (LSD) approximation for exchange and correlation, are not.
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The SIESTA method for ab initio order-N materials simulation

TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
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